5-(aminomethyl)-2-bromo-N-(2,4-dimethylcyclohexyl)benzenesulfonamide

C15H23BrN2O2S — CID 106063422

IUPAC5-(aminomethyl)-2-bromo-N-(2,4-dimethylcyclohexyl)benzenesulfonamide
SMILESCC1CCC(NS(=O)(=O)c2cc(CN)ccc2Br)C(C)C1
InChIInChI=1S/C15H23BrN2O2S/c1-10-3-6-14(11(2)7-10)18-21(19,20)15-8-12(9-17)4-5-13(15)16/h4-5,8,10-11,14,18H,3,6-7,9,17H2,1-2H3
InChIKeyRTZQKXQGTAVRAJ-UHFFFAOYSA-N
MW375.33 g/mol
LogP3.01
Rot. Bonds4

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

5-(aminomethyl)-2-bromo-N-(2,4-dimethylcyclohexyl)benzenesulfonamide (PubChem CID 106063422) has the molecular formula C15H23BrN2O2S and a molecular weight of 375.33 g/mol. Its IUPAC name is 5-(aminomethyl)-2-bromo-N-(2,4-dimethylcyclohexyl)benzenesulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-2-bromo-N-(2,4-dimethylcyclohexyl)benzenesulfonamide
PubChem CID106063422
Molecular FormulaC15H23BrN2O2S
Molecular Weight375.33 g/mol
Exact Mass374.07
IUPAC Name5-(aminomethyl)-2-bromo-N-(2,4-dimethylcyclohexyl)benzenesulfonamide
SMILESCC1CCC(NS(=O)(=O)c2cc(CN)ccc2Br)C(C)C1
InChIInChI=1S/C15H23BrN2O2S/c1-10-3-6-14(11(2)7-10)18-21(19,20)15-8-12(9-17)4-5-13(15)16/h4-5,8,10-11,14,18H,3,6-7,9,17H2,1-2H3
InChIKeyRTZQKXQGTAVRAJ-UHFFFAOYSA-N
XLogP3.01
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.33
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(aminomethyl)-2-bromo-N-(3-methylcyclohexyl)benzenesulfonamide
CID 106027504
5-(aminomethyl)-2-bromo-N-(4-ethylcyclohexyl)benzenesulfonamide
CID 106053096
5-(aminomethyl)-2-bromo-N-[(4-methylcyclohexyl)methyl]benzenesulfonamide
CID 106062370
5-(aminomethyl)-2-bromo-N-[(2-methylcyclohexyl)methyl]benzenesulfonamide
CID 106018509
4-(aminomethyl)-N-(2,3-dimethylcyclopentyl)-2-fluorobenzenesulfonamide
CID 106069126
5-(aminomethyl)-2-bromo-N-(2,6-dimethylpiperidin-1-yl)benzenesulfonamide
CID 106075068
5-amino-N-(2,4-dimethylcyclohexyl)-2,3-dimethylbenzenesulfonamide
CID 63996239
5-(aminomethyl)-N-(3-ethyl-2-methylcyclopentyl)-2-methylbenzenesulfonamide
CID 64921745
5-amino-2-bromo-N-(2-methylcyclopropyl)benzenesulfonamide
CID 65207075
5-bromo-4-[(2,4-dimethylcyclohexyl)sulfamoyl]furan-2-carboxylic acid
CID 63995282
5-(aminomethyl)-N-(2,4-dimethylcyclohexyl)-4-methylthiophene-2-sulfonamide
CID 106063436
5-(aminomethyl)-2-methyl-N-(3-methylcyclobutyl)benzenesulfonamide
CID 113467168

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-bromo-N-(2,4-dimethylcyclohexyl)benzenesulfonamide?
The IUPAC name of 5-(aminomethyl)-2-bromo-N-(2,4-dimethylcyclohexyl)benzenesulfonamide (CID 106063422) is 5-(aminomethyl)-2-bromo-N-(2,4-dimethylcyclohexyl)benzenesulfonamide.
What is the SMILES notation for 5-(aminomethyl)-2-bromo-N-(2,4-dimethylcyclohexyl)benzenesulfonamide?
The canonical SMILES for 5-(aminomethyl)-2-bromo-N-(2,4-dimethylcyclohexyl)benzenesulfonamide is CC1CCC(NS(=O)(=O)c2cc(CN)ccc2Br)C(C)C1.
What is the InChIKey of 5-(aminomethyl)-2-bromo-N-(2,4-dimethylcyclohexyl)benzenesulfonamide?
The InChIKey is RTZQKXQGTAVRAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O2S/c1-10-3-6-14(11(2)7-10)18-21(19,20)15-8-12(9-17)4-5-13(15)16/h4-5,8,10-11,14,18H,3,6-7,9,17H2,1-2H3.
What are the key properties of 5-(aminomethyl)-2-bromo-N-(2,4-dimethylcyclohexyl)benzenesulfonamide?
5-(aminomethyl)-2-bromo-N-(2,4-dimethylcyclohexyl)benzenesulfonamide has a molecular weight of 375.33 g/mol, XLogP of 3.01, 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-(2,4-dimethylcyclohexyl)benzenesulfonamide is sourced from PubChem (CID 106063422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).