3-(aminomethyl)-N-(2-bromo-3-methylphenyl)-4-chlorobenzenesulfonamide

C14H14BrClN2O2S — CID 106073917

IUPAC3-(aminomethyl)-N-(2-bromo-3-methylphenyl)-4-chlorobenzenesulfonamide
SMILESCc1cccc(NS(=O)(=O)c2ccc(Cl)c(CN)c2)c1Br
InChIInChI=1S/C14H14BrClN2O2S/c1-9-3-2-4-13(14(9)15)18-21(19,20)11-5-6-12(16)10(7-11)8-17/h2-7,18H,8,17H2,1H3
InChIKeyDHLXJCDLEIMWAO-UHFFFAOYSA-N
MW389.70 g/mol
LogP3.67
Rot. Bonds4

About 3-(aminomethyl)-N-(2-bromo-3-methylphenyl)-4-chlorobenzenesulfonamide

3-(aminomethyl)-N-(2-bromo-3-methylphenyl)-4-chlorobenzenesulfonamide (PubChem CID 106073917) has the molecular formula C14H14BrClN2O2S and a molecular weight of 389.70 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(2-bromo-3-methylphenyl)-4-chlorobenzenesulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-(2-bromo-3-methylphenyl)-4-chlorobenzenesulfonamide
PubChem CID106073917
Molecular FormulaC14H14BrClN2O2S
Molecular Weight389.70 g/mol
Exact Mass387.96
IUPAC Name3-(aminomethyl)-N-(2-bromo-3-methylphenyl)-4-chlorobenzenesulfonamide
SMILESCc1cccc(NS(=O)(=O)c2ccc(Cl)c(CN)c2)c1Br
InChIInChI=1S/C14H14BrClN2O2S/c1-9-3-2-4-13(14(9)15)18-21(19,20)11-5-6-12(16)10(7-11)8-17/h2-7,18H,8,17H2,1H3
InChIKeyDHLXJCDLEIMWAO-UHFFFAOYSA-N
XLogP3.67
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.70
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-N-(2-bromo-3-methylphenyl)benzenesulfonamide
CID 106073882
3-(aminomethyl)-N-(2-chlorophenyl)-4-methylbenzenesulfonamide
CID 106061930
N-[2-(aminomethyl)phenyl]-3-bromo-4-chlorobenzenesulfonamide
CID 106606716
4-amino-N-(2-bromo-3-chlorophenyl)-3-methylbenzenesulfonamide
CID 103477272
3-(aminomethyl)-N-(3-bromo-2-methylphenyl)-4-methylbenzenesulfonamide
CID 106088180
3-(aminomethyl)-4-chloro-N-(2-fluoro-4-methylphenyl)benzenesulfonamide
CID 106031091
3-(aminomethyl)-N-(5-bromo-4-methyl-2-pyridinyl)-4-chlorobenzenesulfonamide
CID 106070860
3-(aminomethyl)-N-(3-chloro-2-methylphenyl)-4-fluorobenzenesulfonamide
CID 28717015
4-(aminomethyl)-3-chloro-N-(2-chloro-6-methylphenyl)benzenesulfonamide
CID 106070735
3-(aminomethyl)-4-chloro-N-pyridin-2-ylbenzenesulfonamide
CID 106082593
3-bromo-N-(2-chloro-3-methylphenyl)benzenesulfonamide
CID 113246739
4-chloro-N-(2-chlorophenyl)-3-methylbenzenesulfonamide
CID 839413

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(2-bromo-3-methylphenyl)-4-chlorobenzenesulfonamide?
The IUPAC name of 3-(aminomethyl)-N-(2-bromo-3-methylphenyl)-4-chlorobenzenesulfonamide (CID 106073917) is 3-(aminomethyl)-N-(2-bromo-3-methylphenyl)-4-chlorobenzenesulfonamide.
What is the SMILES notation for 3-(aminomethyl)-N-(2-bromo-3-methylphenyl)-4-chlorobenzenesulfonamide?
The canonical SMILES for 3-(aminomethyl)-N-(2-bromo-3-methylphenyl)-4-chlorobenzenesulfonamide is Cc1cccc(NS(=O)(=O)c2ccc(Cl)c(CN)c2)c1Br.
What is the InChIKey of 3-(aminomethyl)-N-(2-bromo-3-methylphenyl)-4-chlorobenzenesulfonamide?
The InChIKey is DHLXJCDLEIMWAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrClN2O2S/c1-9-3-2-4-13(14(9)15)18-21(19,20)11-5-6-12(16)10(7-11)8-17/h2-7,18H,8,17H2,1H3.
What are the key properties of 3-(aminomethyl)-N-(2-bromo-3-methylphenyl)-4-chlorobenzenesulfonamide?
3-(aminomethyl)-N-(2-bromo-3-methylphenyl)-4-chlorobenzenesulfonamide has a molecular weight of 389.70 g/mol, XLogP of 3.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(2-bromo-3-methylphenyl)-4-chlorobenzenesulfonamide is sourced from PubChem (CID 106073917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).