sodium;4-aminocyclohexan-1-ol;5-bromo-2-chloro-N-(4-methylcyclohexyl)pyridine-3-sulfonamide;5-bromo-2-chloropyridin-3-amine;5-bromo-2-chloropyridine-3-sulfonyl chloride;5-bromo-2-methoxy-N-(4-methylcyclohexyl)pyridine-3-sulfonamide;tert-butyl-chloro-dimethylsilane;methane;methanol;methanolate;4-methylcyclohexan-1-amine

C57H95Br4Cl5N9NaO10S3Si — CID 163562011

IUPACsodium;4-aminocyclohexan-1-ol;5-bromo-2-chloro-N-(4-methylcyclohexyl)pyridine-3-sulfonamide;5-bromo-2-chloropyridin-3-amine;5-bromo-2-chloropyridine-3-sulfonyl chloride;5-bromo-2-methoxy-N-(4-methylcyclohexyl)pyridine-3-sulfonamide;tert-butyl-chloro-dimethylsilane;methane;methanol;methanolate;4-methylcyclohexan-1-amine
SMILESC.CC(C)(C)[Si](C)(C)Cl.CC1CCC(N)CC1.CC1CCC(NS(=O)(=O)c2cc(Br)cnc2Cl)CC1.CO.COc1ncc(Br)cc1S(=O)(=O)NC1CCC(C)CC1.C[O-].NC1CCC(O)CC1.Nc1cc(Br)cnc1Cl.O=S(=O)(Cl)c1cc(Br)cnc1Cl.[Na+]
InChIInChI=1S/C13H19BrN2O3S.C12H16BrClN2O2S.C7H15N.C6H15ClSi.C6H13NO.C5H2BrCl2NO2S.C5H4BrClN2.CH4O.CH3O.CH4.Na/c1-9-3-5-11(6-4-9)16-20(17,18)12-7-10(14)8-15-13(12)19-2;1-8-2-4-10(5-3-8)16-19(17,18)11-6-9(13)7-15-12(11)14;1-6-2-4-7(8)5-3-6;1-6(2,3)8(4,5)7;7-5-1-3-6(8)4-2-5;6-3-1-4(12(8,10)11)5(7)9-2-3;6-3-1-4(8)5(7)9-2-3;2*1-2;;/h7-9,11,16H,3-6H2,1-2H3;6-8,10,16H,2-5H2,1H3;6-7H,2-5,8H2,1H3;1-5H3;5-6,8H,1-4,7H2;1-2H;1-2H,8H2;2H,1H3;1H3;1H4;/q;;;;;;;;-1;;+1
InChIKeyFRZXRXYPFZSBOH-UHFFFAOYSA-N
MW1710.60 g/mol
LogP11.80
Rot. Bonds8

About sodium;4-aminocyclohexan-1-ol;5-bromo-2-chloro-N-(4-methylcyclohexyl)pyridine-3-sulfonamide;5-bromo-2-chloropyridin-3-amine;5-bromo-2-chloropyridine-3-sulfonyl chloride;5-bromo-2-methoxy-N-(4-methylcyclohexyl)pyridine-3-sulfonamide;tert-butyl-chloro-dimethylsilane;methane;methanol;methanolate;4-methylcyclohexan-1-amine

sodium;4-aminocyclohexan-1-ol;5-bromo-2-chloro-N-(4-methylcyclohexyl)pyridine-3-sulfonamide;5-bromo-2-chloropyridin-3-amine;5-bromo-2-chloropyridine-3-sulfonyl chloride;5-bromo-2-methoxy-N-(4-methylcyclohexyl)pyridine-3-sulfonamide;tert-butyl-chloro-dimethylsilane;methane;methanol;methanolate;4-methylcyclohexan-1-amine (PubChem CID 163562011) has the molecular formula C57H95Br4Cl5N9NaO10S3Si and a molecular weight of 1710.60 g/mol. Its IUPAC name is sodium;4-aminocyclohexan-1-ol;5-bromo-2-chloro-N-(4-methylcyclohexyl)pyridine-3-sulfonamide;5-bromo-2-chloropyridin-3-amine;5-bromo-2-chloropyridine-3-sulfonyl chloride;5-bromo-2-methoxy-N-(4-methylcyclohexyl)pyridine-3-sulfonamide;tert-butyl-chloro-dimethylsilane;methane;methanol;methanolate;4-methylcyclohexan-1-amine.

Molecular Properties

Compound Namesodium;4-aminocyclohexan-1-ol;5-bromo-2-chloro-N-(4-methylcyclohexyl)pyridine-3-sulfonamide;5-bromo-2-chloropyridin-3-amine;5-bromo-2-chloropyridine-3-sulfonyl chloride;5-bromo-2-methoxy-N-(4-methylcyclohexyl)pyridine-3-sulfonamide;tert-butyl-chloro-dimethylsilane;methane;methanol;methanolate;4-methylcyclohexan-1-amine
PubChem CID163562011
Molecular FormulaC57H95Br4Cl5N9NaO10S3Si
Molecular Weight1710.60 g/mol
Exact Mass1703.12
IUPAC Namesodium;4-aminocyclohexan-1-ol;5-bromo-2-chloro-N-(4-methylcyclohexyl)pyridine-3-sulfonamide;5-bromo-2-chloropyridin-3-amine;5-bromo-2-chloropyridine-3-sulfonyl chloride;5-bromo-2-methoxy-N-(4-methylcyclohexyl)pyridine-3-sulfonamide;tert-butyl-chloro-dimethylsilane;methane;methanol;methanolate;4-methylcyclohexan-1-amine
SMILESC.CC(C)(C)[Si](C)(C)Cl.CC1CCC(N)CC1.CC1CCC(NS(=O)(=O)c2cc(Br)cnc2Cl)CC1.CO.COc1ncc(Br)cc1S(=O)(=O)NC1CCC(C)CC1.C[O-].NC1CCC(O)CC1.Nc1cc(Br)cnc1Cl.O=S(=O)(Cl)c1cc(Br)cnc1Cl.[Na+]
InChIInChI=1S/C13H19BrN2O3S.C12H16BrClN2O2S.C7H15N.C6H15ClSi.C6H13NO.C5H2BrCl2NO2S.C5H4BrClN2.CH4O.CH3O.CH4.Na/c1-9-3-5-11(6-4-9)16-20(17,18)12-7-10(14)8-15-13(12)19-2;1-8-2-4-10(5-3-8)16-19(17,18)11-6-9(13)7-15-12(11)14;1-6-2-4-7(8)5-3-6;1-6(2,3)8(4,5)7;7-5-1-3-6(8)4-2-5;6-3-1-4(12(8,10)11)5(7)9-2-3;6-3-1-4(8)5(7)9-2-3;2*1-2;;/h7-9,11,16H,3-6H2,1-2H3;6-8,10,16H,2-5H2,1H3;6-7H,2-5,8H2,1H3;1-5H3;5-6,8H,1-4,7H2;1-2H;1-2H,8H2;2H,1H3;1H3;1H4;/q;;;;;;;;-1;;+1
InChIKeyFRZXRXYPFZSBOH-UHFFFAOYSA-N
XLogP11.80
TPSA328.85 Ų
H-Bond Donors7
H-Bond Acceptors17
Rotatable Bonds8
Heavy Atoms90
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001710.60
LogP ≤ 511.80
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

Analyze sodium;4-aminocyclohexan-1-ol;5-bromo-2-chloro-N-(4-methylcyclohexyl)pyridine-3-sulfonamide;5-bromo-2-chloropyridin-3-amine;5-bromo-2-chloropyridine-3-sulfonyl chloride;5-bromo-2-methoxy-N-(4-methylcyclohexyl)pyridine-3-sulfonamide;tert-butyl-chloro-dimethylsilane;methane;methanol;methanolate;4-methylcyclohexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-2-methoxy-N-(4-methylcyclohexyl)pyridine-3-sulfonamide
CID 160805742
5-bromo-2-chloro-N-cyclobutylpyridine-3-sulfonamide;5-bromo-N-cyclobutyl-2-methoxypyridine-3-sulfonamide;5-bromo-N-cyclobutyl-2-oxo-1H-pyridine-3-sulfonamide
CID 158233304
5-bromo-2-chloro-N-(3-methylcyclobutyl)pyridine-3-sulfonamide
CID 115672191
5-(4-amino-2,6-dichlorophenoxy)-N-cyclobutyl-2-methoxypyridine-3-sulfonamide;5-(4-bromo-2,6-dichlorophenoxy)-N-cyclobutyl-2-methoxypyridine-3-sulfonamide
CID 161196012
5-bromo-2-chlorobenzenesulfonyl chloride;5-bromo-2-chloro-N-(4-hydroxycyclohexyl)benzenesulfonamide
CID 87549933
2-amino-N-(4-hydroxycyclohexyl)-4-methoxybenzenesulfonamide
CID 29037342
methyl 5-bromo-4-[(4-hydroxycyclohexyl)sulfamoyl]thiophene-2-carboxylate
CID 43428154
5-bromo-2-chloro-N-[(4-ethylcyclohexyl)methyl]pyridine-3-sulfonamide
CID 63494942
5-bromo-N-(4-hydroxycyclohexyl)-2-methylbenzenesulfonamide
CID 43392103
5-amino-4-bromo-2-methyl-N-(4-methylcyclohexyl)benzenesulfonamide
CID 104963333
5-bromo-2-chloro-N-methylpyridine-3-sulfonamide
CID 61059658
ethyl 2-[(5-bromo-2-chloro-3-pyridinyl)sulfonylamino]propanoate
CID 61498779

Frequently Asked Questions

What is the IUPAC name of sodium;4-aminocyclohexan-1-ol;5-bromo-2-chloro-N-(4-methylcyclohexyl)pyridine-3-sulfonamide;5-bromo-2-chloropyridin-3-amine;5-bromo-2-chloropyridine-3-sulfonyl chloride;5-bromo-2-methoxy-N-(4-methylcyclohexyl)pyridine-3-sulfonamide;tert-butyl-chloro-dimethylsilane;methane;methanol;methanolate;4-methylcyclohexan-1-amine?
The IUPAC name of sodium;4-aminocyclohexan-1-ol;5-bromo-2-chloro-N-(4-methylcyclohexyl)pyridine-3-sulfonamide;5-bromo-2-chloropyridin-3-amine;5-bromo-2-chloropyridine-3-sulfonyl chloride;5-bromo-2-methoxy-N-(4-methylcyclohexyl)pyridine-3-sulfonamide;tert-butyl-chloro-dimethylsilane;methane;methanol;methanolate;4-methylcyclohexan-1-amine (CID 163562011) is sodium;4-aminocyclohexan-1-ol;5-bromo-2-chloro-N-(4-methylcyclohexyl)pyridine-3-sulfonamide;5-bromo-2-chloropyridin-3-amine;5-bromo-2-chloropyridine-3-sulfonyl chloride;5-bromo-2-methoxy-N-(4-methylcyclohexyl)pyridine-3-sulfonamide;tert-butyl-chloro-dimethylsilane;methane;methanol;methanolate;4-methylcyclohexan-1-amine.
What is the SMILES notation for sodium;4-aminocyclohexan-1-ol;5-bromo-2-chloro-N-(4-methylcyclohexyl)pyridine-3-sulfonamide;5-bromo-2-chloropyridin-3-amine;5-bromo-2-chloropyridine-3-sulfonyl chloride;5-bromo-2-methoxy-N-(4-methylcyclohexyl)pyridine-3-sulfonamide;tert-butyl-chloro-dimethylsilane;methane;methanol;methanolate;4-methylcyclohexan-1-amine?
The canonical SMILES for sodium;4-aminocyclohexan-1-ol;5-bromo-2-chloro-N-(4-methylcyclohexyl)pyridine-3-sulfonamide;5-bromo-2-chloropyridin-3-amine;5-bromo-2-chloropyridine-3-sulfonyl chloride;5-bromo-2-methoxy-N-(4-methylcyclohexyl)pyridine-3-sulfonamide;tert-butyl-chloro-dimethylsilane;methane;methanol;methanolate;4-methylcyclohexan-1-amine is C.CC(C)(C)[Si](C)(C)Cl.CC1CCC(N)CC1.CC1CCC(NS(=O)(=O)c2cc(Br)cnc2Cl)CC1.CO.COc1ncc(Br)cc1S(=O)(=O)NC1CCC(C)CC1.C[O-].NC1CCC(O)CC1.Nc1cc(Br)cnc1Cl.O=S(=O)(Cl)c1cc(Br)cnc1Cl.[Na+].
What is the InChIKey of sodium;4-aminocyclohexan-1-ol;5-bromo-2-chloro-N-(4-methylcyclohexyl)pyridine-3-sulfonamide;5-bromo-2-chloropyridin-3-amine;5-bromo-2-chloropyridine-3-sulfonyl chloride;5-bromo-2-methoxy-N-(4-methylcyclohexyl)pyridine-3-sulfonamide;tert-butyl-chloro-dimethylsilane;methane;methanol;methanolate;4-methylcyclohexan-1-amine?
The InChIKey is FRZXRXYPFZSBOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O3S.C12H16BrClN2O2S.C7H15N.C6H15ClSi.C6H13NO.C5H2BrCl2NO2S.C5H4BrClN2.CH4O.CH3O.CH4.Na/c1-9-3-5-11(6-4-9)16-20(17,18)12-7-10(14)8-15-13(12)19-2;1-8-2-4-10(5-3-8)16-19(17,18)11-6-9(13)7-15-12(11)14;1-6-2-4-7(8)5-3-6;1-6(2,3)8(4,5)7;7-5-1-3-6(8)4-2-5;6-3-1-4(12(8,10)11)5(7)9-2-3;6-3-1-4(8)5(7)9-2-3;2*1-2;;/h7-9,11,16H,3-6H2,1-2H3;6-8,10,16H,2-5H2,1H3;6-7H,2-5,8H2,1H3;1-5H3;5-6,8H,1-4,7H2;1-2H;1-2H,8H2;2H,1H3;1H3;1H4;/q;;;;;;;;-1;;+1.
What are the key properties of sodium;4-aminocyclohexan-1-ol;5-bromo-2-chloro-N-(4-methylcyclohexyl)pyridine-3-sulfonamide;5-bromo-2-chloropyridin-3-amine;5-bromo-2-chloropyridine-3-sulfonyl chloride;5-bromo-2-methoxy-N-(4-methylcyclohexyl)pyridine-3-sulfonamide;tert-butyl-chloro-dimethylsilane;methane;methanol;methanolate;4-methylcyclohexan-1-amine?
sodium;4-aminocyclohexan-1-ol;5-bromo-2-chloro-N-(4-methylcyclohexyl)pyridine-3-sulfonamide;5-bromo-2-chloropyridin-3-amine;5-bromo-2-chloropyridine-3-sulfonyl chloride;5-bromo-2-methoxy-N-(4-methylcyclohexyl)pyridine-3-sulfonamide;tert-butyl-chloro-dimethylsilane;methane;methanol;methanolate;4-methylcyclohexan-1-amine has a molecular weight of 1710.60 g/mol, XLogP of 11.80, 8 rotatable bonds, 7 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;4-aminocyclohexan-1-ol;5-bromo-2-chloro-N-(4-methylcyclohexyl)pyridine-3-sulfonamide;5-bromo-2-chloropyridin-3-amine;5-bromo-2-chloropyridine-3-sulfonyl chloride;5-bromo-2-methoxy-N-(4-methylcyclohexyl)pyridine-3-sulfonamide;tert-butyl-chloro-dimethylsilane;methane;methanol;methanolate;4-methylcyclohexan-1-amine is sourced from PubChem (CID 163562011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).