5-amino-2-bromo-N-(3,4-dimethylcyclohexyl)benzenesulfonamide

C14H21BrN2O2S — CID 65206704

IUPAC5-amino-2-bromo-N-(3,4-dimethylcyclohexyl)benzenesulfonamide
SMILESCC1CCC(NS(=O)(=O)c2cc(N)ccc2Br)CC1C
InChIInChI=1S/C14H21BrN2O2S/c1-9-3-5-12(7-10(9)2)17-20(18,19)14-8-11(16)4-6-13(14)15/h4,6,8-10,12,17H,3,5,7,16H2,1-2H3
InChIKeySUCTWSYTRBMWSX-UHFFFAOYSA-N
MW361.31 g/mol
LogP3.13
Rot. Bonds3

About 5-amino-2-bromo-N-(3,4-dimethylcyclohexyl)benzenesulfonamide

5-amino-2-bromo-N-(3,4-dimethylcyclohexyl)benzenesulfonamide (PubChem CID 65206704) has the molecular formula C14H21BrN2O2S and a molecular weight of 361.31 g/mol. Its IUPAC name is 5-amino-2-bromo-N-(3,4-dimethylcyclohexyl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-bromo-N-(3,4-dimethylcyclohexyl)benzenesulfonamide
PubChem CID65206704
Molecular FormulaC14H21BrN2O2S
Molecular Weight361.31 g/mol
Exact Mass360.05
IUPAC Name5-amino-2-bromo-N-(3,4-dimethylcyclohexyl)benzenesulfonamide
SMILESCC1CCC(NS(=O)(=O)c2cc(N)ccc2Br)CC1C
InChIInChI=1S/C14H21BrN2O2S/c1-9-3-5-12(7-10(9)2)17-20(18,19)14-8-11(16)4-6-13(14)15/h4,6,8-10,12,17H,3,5,7,16H2,1-2H3
InChIKeySUCTWSYTRBMWSX-UHFFFAOYSA-N
XLogP3.13
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.31
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-2-chloro-N-(3,4-dimethylcyclohexyl)benzenesulfonamide
CID 64740102
5-amino-2-bromo-N-(2-methylcyclopropyl)benzenesulfonamide
CID 65207075
4-bromo-N-(3,4-dimethylcyclohexyl)benzenesulfonamide
CID 64741660
4-amino-N-(3,4-dimethylcyclohexyl)thiophene-2-sulfonamide
CID 64740663
5-amino-2-bromo-N-(3,4-dimethylcyclohexyl)benzamide
CID 64739491
5-amino-2-bromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzenesulfonamide
CID 114628382
5-amino-2-bromo-N-methylbenzenesulfonamide
CID 65201802
4-bromo-3-[(3-methylcyclopentyl)sulfamoyl]benzoic acid
CID 114543645
5-amino-2-bromo-N-(dicyclopropylmethyl)benzenesulfonamide
CID 65206493
4-amino-2-bromo-N-(2-methylcyclohexyl)benzenesulfonamide
CID 43256037
5-(aminomethyl)-2-bromo-N-(3-methylcyclohexyl)benzenesulfonamide
CID 106027504
4-amino-N-(3,5-dimethylcyclohexyl)-2-fluorobenzenesulfonamide
CID 64732843

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-bromo-N-(3,4-dimethylcyclohexyl)benzenesulfonamide?
The IUPAC name of 5-amino-2-bromo-N-(3,4-dimethylcyclohexyl)benzenesulfonamide (CID 65206704) is 5-amino-2-bromo-N-(3,4-dimethylcyclohexyl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2-bromo-N-(3,4-dimethylcyclohexyl)benzenesulfonamide?
The canonical SMILES for 5-amino-2-bromo-N-(3,4-dimethylcyclohexyl)benzenesulfonamide is CC1CCC(NS(=O)(=O)c2cc(N)ccc2Br)CC1C.
What is the InChIKey of 5-amino-2-bromo-N-(3,4-dimethylcyclohexyl)benzenesulfonamide?
The InChIKey is SUCTWSYTRBMWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O2S/c1-9-3-5-12(7-10(9)2)17-20(18,19)14-8-11(16)4-6-13(14)15/h4,6,8-10,12,17H,3,5,7,16H2,1-2H3.
What are the key properties of 5-amino-2-bromo-N-(3,4-dimethylcyclohexyl)benzenesulfonamide?
5-amino-2-bromo-N-(3,4-dimethylcyclohexyl)benzenesulfonamide has a molecular weight of 361.31 g/mol, XLogP of 3.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-bromo-N-(3,4-dimethylcyclohexyl)benzenesulfonamide is sourced from PubChem (CID 65206704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).