5-(aminomethyl)-2-bromo-N-(3-methylcyclohexyl)benzenesulfonamide

C14H21BrN2O2S — CID 106027504

IUPAC5-(aminomethyl)-2-bromo-N-(3-methylcyclohexyl)benzenesulfonamide
SMILESCC1CCCC(NS(=O)(=O)c2cc(CN)ccc2Br)C1
InChIInChI=1S/C14H21BrN2O2S/c1-10-3-2-4-12(7-10)17-20(18,19)14-8-11(9-16)5-6-13(14)15/h5-6,8,10,12,17H,2-4,7,9,16H2,1H3
InChIKeySEXRHDIFWPBJCF-UHFFFAOYSA-N
MW361.31 g/mol
LogP2.76
Rot. Bonds4

About 5-(aminomethyl)-2-bromo-N-(3-methylcyclohexyl)benzenesulfonamide

5-(aminomethyl)-2-bromo-N-(3-methylcyclohexyl)benzenesulfonamide (PubChem CID 106027504) has the molecular formula C14H21BrN2O2S and a molecular weight of 361.31 g/mol. Its IUPAC name is 5-(aminomethyl)-2-bromo-N-(3-methylcyclohexyl)benzenesulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-2-bromo-N-(3-methylcyclohexyl)benzenesulfonamide
PubChem CID106027504
Molecular FormulaC14H21BrN2O2S
Molecular Weight361.31 g/mol
Exact Mass360.05
IUPAC Name5-(aminomethyl)-2-bromo-N-(3-methylcyclohexyl)benzenesulfonamide
SMILESCC1CCCC(NS(=O)(=O)c2cc(CN)ccc2Br)C1
InChIInChI=1S/C14H21BrN2O2S/c1-10-3-2-4-12(7-10)17-20(18,19)14-8-11(9-16)5-6-13(14)15/h5-6,8,10,12,17H,2-4,7,9,16H2,1H3
InChIKeySEXRHDIFWPBJCF-UHFFFAOYSA-N
XLogP2.76
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.31
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(aminomethyl)-2-bromo-N-(2,4-dimethylcyclohexyl)benzenesulfonamide
CID 106063422
5-(aminomethyl)-2-bromo-N-(4-ethylcyclohexyl)benzenesulfonamide
CID 106053096
5-(aminomethyl)-2-bromo-N-(2,6-dimethylpiperidin-1-yl)benzenesulfonamide
CID 106075068
5-(aminomethyl)-2-methyl-N-(3-methylcyclobutyl)benzenesulfonamide
CID 113467168
2-bromo-4-fluoro-N-(3-methylcyclohexyl)benzenesulfonamide
CID 47257511
4-(aminomethyl)-N-(3-methylcyclohexyl)thiophene-2-sulfonamide
CID 114138567
1-[3-(aminomethyl)phenyl]-N-(3-methylcyclohexyl)methanesulfonamide
CID 60977922
5-(aminomethyl)-2-bromo-N-[(4-methylcyclohexyl)methyl]benzenesulfonamide
CID 106062370
4-(aminomethyl)-2-bromo-N-[(3-methylcyclohexyl)methyl]benzenesulfonamide
CID 106090828
4-(aminomethyl)-2-bromo-N-(2-methyloxan-4-yl)benzenesulfonamide
CID 106093875
5-(aminomethyl)-2-bromo-N-[(2-methylcyclohexyl)methyl]benzenesulfonamide
CID 106018509
4-bromo-3-[(3-methylcyclopentyl)sulfamoyl]benzoic acid
CID 114543645

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-bromo-N-(3-methylcyclohexyl)benzenesulfonamide?
The IUPAC name of 5-(aminomethyl)-2-bromo-N-(3-methylcyclohexyl)benzenesulfonamide (CID 106027504) is 5-(aminomethyl)-2-bromo-N-(3-methylcyclohexyl)benzenesulfonamide.
What is the SMILES notation for 5-(aminomethyl)-2-bromo-N-(3-methylcyclohexyl)benzenesulfonamide?
The canonical SMILES for 5-(aminomethyl)-2-bromo-N-(3-methylcyclohexyl)benzenesulfonamide is CC1CCCC(NS(=O)(=O)c2cc(CN)ccc2Br)C1.
What is the InChIKey of 5-(aminomethyl)-2-bromo-N-(3-methylcyclohexyl)benzenesulfonamide?
The InChIKey is SEXRHDIFWPBJCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O2S/c1-10-3-2-4-12(7-10)17-20(18,19)14-8-11(9-16)5-6-13(14)15/h5-6,8,10,12,17H,2-4,7,9,16H2,1H3.
What are the key properties of 5-(aminomethyl)-2-bromo-N-(3-methylcyclohexyl)benzenesulfonamide?
5-(aminomethyl)-2-bromo-N-(3-methylcyclohexyl)benzenesulfonamide has a molecular weight of 361.31 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-bromo-N-(3-methylcyclohexyl)benzenesulfonamide is sourced from PubChem (CID 106027504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).