5-(aminomethyl)-2-bromo-N-[(4-methylcyclohexyl)methyl]benzenesulfonamide

C15H23BrN2O2S — CID 106062370

IUPAC5-(aminomethyl)-2-bromo-N-[(4-methylcyclohexyl)methyl]benzenesulfonamide
SMILESCC1CCC(CNS(=O)(=O)c2cc(CN)ccc2Br)CC1
InChIInChI=1S/C15H23BrN2O2S/c1-11-2-4-12(5-3-11)10-18-21(19,20)15-8-13(9-17)6-7-14(15)16/h6-8,11-12,18H,2-5,9-10,17H2,1H3
InChIKeyDBJQKRRHSJRVEX-UHFFFAOYSA-N
MW375.33 g/mol
LogP3.01
Rot. Bonds5

About 5-(aminomethyl)-2-bromo-N-[(4-methylcyclohexyl)methyl]benzenesulfonamide

5-(aminomethyl)-2-bromo-N-[(4-methylcyclohexyl)methyl]benzenesulfonamide (PubChem CID 106062370) has the molecular formula C15H23BrN2O2S and a molecular weight of 375.33 g/mol. Its IUPAC name is 5-(aminomethyl)-2-bromo-N-[(4-methylcyclohexyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-2-bromo-N-[(4-methylcyclohexyl)methyl]benzenesulfonamide
PubChem CID106062370
Molecular FormulaC15H23BrN2O2S
Molecular Weight375.33 g/mol
Exact Mass374.07
IUPAC Name5-(aminomethyl)-2-bromo-N-[(4-methylcyclohexyl)methyl]benzenesulfonamide
SMILESCC1CCC(CNS(=O)(=O)c2cc(CN)ccc2Br)CC1
InChIInChI=1S/C15H23BrN2O2S/c1-11-2-4-12(5-3-11)10-18-21(19,20)15-8-13(9-17)6-7-14(15)16/h6-8,11-12,18H,2-5,9-10,17H2,1H3
InChIKeyDBJQKRRHSJRVEX-UHFFFAOYSA-N
XLogP3.01
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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-[(2-methylcyclohexyl)methyl]benzenesulfonamide
CID 106018509
4-(aminomethyl)-2-bromo-N-[(3-methylcyclohexyl)methyl]benzenesulfonamide
CID 106090828
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-(3-methylcyclohexyl)benzenesulfonamide
CID 106027504
5-(aminomethyl)-2-bromo-N-(2,6-dimethylpiperidin-1-yl)benzenesulfonamide
CID 106075068
4-(aminomethyl)-N-(cyclohexylmethyl)-2-methylbenzenesulfonamide
CID 106996679
5-(aminomethyl)-2-bromo-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 106077537
5-(aminomethyl)-2-methoxy-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 106062917
5-amino-2-bromo-N-[(1-ethylpiperidin-4-yl)methyl]benzenesulfonamide
CID 65206688
5-(aminomethyl)-2-bromo-N-pentan-2-ylbenzenesulfonamide
CID 106046490
3-bromo-4-chloro-N-[(4-methylcyclohexyl)methyl]benzenesulfonamide
CID 106612261

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-bromo-N-[(4-methylcyclohexyl)methyl]benzenesulfonamide?
The IUPAC name of 5-(aminomethyl)-2-bromo-N-[(4-methylcyclohexyl)methyl]benzenesulfonamide (CID 106062370) is 5-(aminomethyl)-2-bromo-N-[(4-methylcyclohexyl)methyl]benzenesulfonamide.
What is the SMILES notation for 5-(aminomethyl)-2-bromo-N-[(4-methylcyclohexyl)methyl]benzenesulfonamide?
The canonical SMILES for 5-(aminomethyl)-2-bromo-N-[(4-methylcyclohexyl)methyl]benzenesulfonamide is CC1CCC(CNS(=O)(=O)c2cc(CN)ccc2Br)CC1.
What is the InChIKey of 5-(aminomethyl)-2-bromo-N-[(4-methylcyclohexyl)methyl]benzenesulfonamide?
The InChIKey is DBJQKRRHSJRVEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O2S/c1-11-2-4-12(5-3-11)10-18-21(19,20)15-8-13(9-17)6-7-14(15)16/h6-8,11-12,18H,2-5,9-10,17H2,1H3.
What are the key properties of 5-(aminomethyl)-2-bromo-N-[(4-methylcyclohexyl)methyl]benzenesulfonamide?
5-(aminomethyl)-2-bromo-N-[(4-methylcyclohexyl)methyl]benzenesulfonamide has a molecular weight of 375.33 g/mol, XLogP of 3.01, 5 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-[(4-methylcyclohexyl)methyl]benzenesulfonamide is sourced from PubChem (CID 106062370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).