5-(aminomethyl)-2-bromo-N-(4-ethylcyclohexyl)benzenesulfonamide

C15H23BrN2O2S — CID 106053096

IUPAC5-(aminomethyl)-2-bromo-N-(4-ethylcyclohexyl)benzenesulfonamide
SMILESCCC1CCC(NS(=O)(=O)c2cc(CN)ccc2Br)CC1
InChIInChI=1S/C15H23BrN2O2S/c1-2-11-3-6-13(7-4-11)18-21(19,20)15-9-12(10-17)5-8-14(15)16/h5,8-9,11,13,18H,2-4,6-7,10,17H2,1H3
InChIKeyYMELQQHJCROQIK-UHFFFAOYSA-N
MW375.33 g/mol
LogP3.15
Rot. Bonds5

About 5-(aminomethyl)-2-bromo-N-(4-ethylcyclohexyl)benzenesulfonamide

5-(aminomethyl)-2-bromo-N-(4-ethylcyclohexyl)benzenesulfonamide (PubChem CID 106053096) has the molecular formula C15H23BrN2O2S and a molecular weight of 375.33 g/mol. Its IUPAC name is 5-(aminomethyl)-2-bromo-N-(4-ethylcyclohexyl)benzenesulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-2-bromo-N-(4-ethylcyclohexyl)benzenesulfonamide
PubChem CID106053096
Molecular FormulaC15H23BrN2O2S
Molecular Weight375.33 g/mol
Exact Mass374.07
IUPAC Name5-(aminomethyl)-2-bromo-N-(4-ethylcyclohexyl)benzenesulfonamide
SMILESCCC1CCC(NS(=O)(=O)c2cc(CN)ccc2Br)CC1
InChIInChI=1S/C15H23BrN2O2S/c1-2-11-3-6-13(7-4-11)18-21(19,20)15-9-12(10-17)5-8-14(15)16/h5,8-9,11,13,18H,2-4,6-7,10,17H2,1H3
InChIKeyYMELQQHJCROQIK-UHFFFAOYSA-N
XLogP3.15
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 ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(aminomethyl)-N-(4-ethylcyclohexyl)-2-fluorobenzenesulfonamide
CID 106053054
5-(aminomethyl)-2-bromo-N-(3-methylcyclohexyl)benzenesulfonamide
CID 106027504
5-(aminomethyl)-2-bromo-N-(2,4-dimethylcyclohexyl)benzenesulfonamide
CID 106063422
2,5-dibromo-N-(4-propylcyclohexyl)benzenesulfonamide
CID 63420566
5-(aminomethyl)-2-bromo-N-[(4-methylcyclohexyl)methyl]benzenesulfonamide
CID 106062370
4-(aminomethyl)-N-cyclopropyl-2-fluorobenzenesulfonamide
CID 79190542
5-(aminomethyl)-N-(4-ethylcyclohexyl)-2-methylthiophene-3-sulfonamide
CID 106053111
5-(aminomethyl)-2-bromo-N-(2,6-dimethylpiperidin-1-yl)benzenesulfonamide
CID 106075068
2-bromo-5-(methylaminomethyl)-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 106025360
4-(aminomethyl)-N-(3-ethylcyclohexyl)-2-fluorobenzenesulfonamide
CID 106068638
5-(aminomethyl)-N-cyclohexyl-2-methoxybenzenesulfonamide
CID 28717716
5-amino-N-(4-ethylcyclohexyl)-2-methoxybenzenesulfonamide
CID 61467171

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-bromo-N-(4-ethylcyclohexyl)benzenesulfonamide?
The IUPAC name of 5-(aminomethyl)-2-bromo-N-(4-ethylcyclohexyl)benzenesulfonamide (CID 106053096) is 5-(aminomethyl)-2-bromo-N-(4-ethylcyclohexyl)benzenesulfonamide.
What is the SMILES notation for 5-(aminomethyl)-2-bromo-N-(4-ethylcyclohexyl)benzenesulfonamide?
The canonical SMILES for 5-(aminomethyl)-2-bromo-N-(4-ethylcyclohexyl)benzenesulfonamide is CCC1CCC(NS(=O)(=O)c2cc(CN)ccc2Br)CC1.
What is the InChIKey of 5-(aminomethyl)-2-bromo-N-(4-ethylcyclohexyl)benzenesulfonamide?
The InChIKey is YMELQQHJCROQIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O2S/c1-2-11-3-6-13(7-4-11)18-21(19,20)15-9-12(10-17)5-8-14(15)16/h5,8-9,11,13,18H,2-4,6-7,10,17H2,1H3.
What are the key properties of 5-(aminomethyl)-2-bromo-N-(4-ethylcyclohexyl)benzenesulfonamide?
5-(aminomethyl)-2-bromo-N-(4-ethylcyclohexyl)benzenesulfonamide has a molecular weight of 375.33 g/mol, XLogP of 3.15, 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-ethylcyclohexyl)benzenesulfonamide is sourced from PubChem (CID 106053096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).