4-[[4-(tert-butylsulfonylamino)cyclohexyl]methylamino]-N-cyclohexylbenzenesulfonamide

C23H39N3O4S2 — CID 70939108

IUPAC4-[[4-(tert-butylsulfonylamino)cyclohexyl]methylamino]-N-cyclohexylbenzenesulfonamide
SMILESCC(C)(C)S(=O)(=O)NC1CCC(CNc2ccc(S(=O)(=O)NC3CCCCC3)cc2)CC1
InChIInChI=1S/C23H39N3O4S2/c1-23(2,3)32(29,30)26-21-11-9-18(10-12-21)17-24-19-13-15-22(16-14-19)31(27,28)25-20-7-5-4-6-8-20/h13-16,18,20-21,24-26H,4-12,17H2,1-3H3
InChIKeyHMWOZAHERNVCQX-UHFFFAOYSA-N
MW485.72 g/mol
LogP3.99
Rot. Bonds8

About 4-[[4-(tert-butylsulfonylamino)cyclohexyl]methylamino]-N-cyclohexylbenzenesulfonamide

4-[[4-(tert-butylsulfonylamino)cyclohexyl]methylamino]-N-cyclohexylbenzenesulfonamide (PubChem CID 70939108) has the molecular formula C23H39N3O4S2 and a molecular weight of 485.72 g/mol. Its IUPAC name is 4-[[4-(tert-butylsulfonylamino)cyclohexyl]methylamino]-N-cyclohexylbenzenesulfonamide.

Molecular Properties

Compound Name4-[[4-(tert-butylsulfonylamino)cyclohexyl]methylamino]-N-cyclohexylbenzenesulfonamide
PubChem CID70939108
Molecular FormulaC23H39N3O4S2
Molecular Weight485.72 g/mol
Exact Mass485.24
IUPAC Name4-[[4-(tert-butylsulfonylamino)cyclohexyl]methylamino]-N-cyclohexylbenzenesulfonamide
SMILESCC(C)(C)S(=O)(=O)NC1CCC(CNc2ccc(S(=O)(=O)NC3CCCCC3)cc2)CC1
InChIInChI=1S/C23H39N3O4S2/c1-23(2,3)32(29,30)26-21-11-9-18(10-12-21)17-24-19-13-15-22(16-14-19)31(27,28)25-20-7-5-4-6-8-20/h13-16,18,20-21,24-26H,4-12,17H2,1-3H3
InChIKeyHMWOZAHERNVCQX-UHFFFAOYSA-N
XLogP3.99
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.72
LogP ≤ 53.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[4-(tert-butylsulfonylamino)cyclohexyl]methylamino]-N-propan-2-ylbenzenesulfonamide
CID 70939054
N-[4-[(4-chloroanilino)methyl]cyclohexyl]-2-methylpropane-2-sulfonamide
CID 70939433
2-methyl-N-[4-[(4-propan-2-ylanilino)methyl]cyclohexyl]propane-2-sulfonamide
CID 70938806
N-cyclooctyl-4-(ethylamino)benzenesulfonamide
CID 62150101
4-[[4-(tert-butylsulfonylamino)phenyl]methylamino]-N-cyclohexylbenzenesulfonamide
CID 70939913
N-[4-[[4-[(5R)-3,5-dimethylpiperidin-1-yl]anilino]methyl]cyclohexyl]-2-methylpropane-2-sulfonamide
CID 70910997
2-methyl-N-[4-[[4-(tetrazol-2-yl)anilino]methyl]cyclohexyl]propane-2-sulfonamide
CID 70938893
N-[4-[[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]anilino]methyl]cyclohexyl]-2-methylpropane-2-sulfonamide
CID 118376519
N-cycloheptyl-4-(methylamino)benzenesulfonamide
CID 15049673
N-[4-[[4-(4,5-dichloroimidazol-1-yl)anilino]methyl]cyclohexyl]-2-methylpropane-2-sulfonamide
CID 70938882
N-[4-[[2-(4-fluoroanilino)ethylamino]methyl]cyclohexyl]-2-methylpropane-2-sulfonamide
CID 70939338
2-methyl-N-[4-[(4-pyrrolidin-1-ylanilino)methyl]cyclohexyl]butane-2-sulfonamide
CID 70939620

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(tert-butylsulfonylamino)cyclohexyl]methylamino]-N-cyclohexylbenzenesulfonamide?
The IUPAC name of 4-[[4-(tert-butylsulfonylamino)cyclohexyl]methylamino]-N-cyclohexylbenzenesulfonamide (CID 70939108) is 4-[[4-(tert-butylsulfonylamino)cyclohexyl]methylamino]-N-cyclohexylbenzenesulfonamide.
What is the SMILES notation for 4-[[4-(tert-butylsulfonylamino)cyclohexyl]methylamino]-N-cyclohexylbenzenesulfonamide?
The canonical SMILES for 4-[[4-(tert-butylsulfonylamino)cyclohexyl]methylamino]-N-cyclohexylbenzenesulfonamide is CC(C)(C)S(=O)(=O)NC1CCC(CNc2ccc(S(=O)(=O)NC3CCCCC3)cc2)CC1.
What is the InChIKey of 4-[[4-(tert-butylsulfonylamino)cyclohexyl]methylamino]-N-cyclohexylbenzenesulfonamide?
The InChIKey is HMWOZAHERNVCQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H39N3O4S2/c1-23(2,3)32(29,30)26-21-11-9-18(10-12-21)17-24-19-13-15-22(16-14-19)31(27,28)25-20-7-5-4-6-8-20/h13-16,18,20-21,24-26H,4-12,17H2,1-3H3.
What are the key properties of 4-[[4-(tert-butylsulfonylamino)cyclohexyl]methylamino]-N-cyclohexylbenzenesulfonamide?
4-[[4-(tert-butylsulfonylamino)cyclohexyl]methylamino]-N-cyclohexylbenzenesulfonamide has a molecular weight of 485.72 g/mol, XLogP of 3.99, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(tert-butylsulfonylamino)cyclohexyl]methylamino]-N-cyclohexylbenzenesulfonamide is sourced from PubChem (CID 70939108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).