4-(aminomethyl)-3-chloro-N-(2-chloro-6-methylphenyl)benzenesulfonamide

C14H14Cl2N2O2S — CID 106070735

IUPAC4-(aminomethyl)-3-chloro-N-(2-chloro-6-methylphenyl)benzenesulfonamide
SMILESCc1cccc(Cl)c1NS(=O)(=O)c1ccc(CN)c(Cl)c1
InChIInChI=1S/C14H14Cl2N2O2S/c1-9-3-2-4-12(15)14(9)18-21(19,20)11-6-5-10(8-17)13(16)7-11/h2-7,18H,8,17H2,1H3
InChIKeyKMOGOUORACAGRR-UHFFFAOYSA-N
MW345.25 g/mol
LogP3.56
Rot. Bonds4

About 4-(aminomethyl)-3-chloro-N-(2-chloro-6-methylphenyl)benzenesulfonamide

4-(aminomethyl)-3-chloro-N-(2-chloro-6-methylphenyl)benzenesulfonamide (PubChem CID 106070735) has the molecular formula C14H14Cl2N2O2S and a molecular weight of 345.25 g/mol. Its IUPAC name is 4-(aminomethyl)-3-chloro-N-(2-chloro-6-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-3-chloro-N-(2-chloro-6-methylphenyl)benzenesulfonamide
PubChem CID106070735
Molecular FormulaC14H14Cl2N2O2S
Molecular Weight345.25 g/mol
Exact Mass344.02
IUPAC Name4-(aminomethyl)-3-chloro-N-(2-chloro-6-methylphenyl)benzenesulfonamide
SMILESCc1cccc(Cl)c1NS(=O)(=O)c1ccc(CN)c(Cl)c1
InChIInChI=1S/C14H14Cl2N2O2S/c1-9-3-2-4-12(15)14(9)18-21(19,20)11-6-5-10(8-17)13(16)7-11/h2-7,18H,8,17H2,1H3
InChIKeyKMOGOUORACAGRR-UHFFFAOYSA-N
XLogP3.56
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.25
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloro-6-methylphenyl)-4-methylbenzenesulfonamide
CID 19256835
N-(2-chloro-6-methylphenyl)-4-hydrazinylbenzenesulfonamide
CID 66255534
4-amino-N-(2-chloro-6-methylphenyl)-3-methoxybenzenesulfonamide
CID 81442347
3-(aminomethyl)-N-(2-chlorophenyl)-4-methylbenzenesulfonamide
CID 106061930
3-bromo-N-(2-chloro-6-methylphenyl)-4-methoxybenzenesulfonamide
CID 66256215
3-(aminomethyl)-N-(2-bromo-3-methylphenyl)-4-chlorobenzenesulfonamide
CID 106073917
5-(aminomethyl)-N-(2-chloro-6-methylphenyl)-2-methylfuran-3-sulfonamide
CID 106070672
N-(2-chloro-6-methylphenyl)-4-cyanobenzenesulfonamide
CID 66254566
1-[4-(aminomethyl)phenyl]-N-(2-chloro-6-methylphenyl)methanesulfonamide
CID 106070690
4-(aminomethyl)-N-(2-chloro-6-methylphenyl)-2-fluorobenzenesulfonamide
CID 106070701
4-(aminomethyl)-N-(3-bromo-2-pyridinyl)-3-chlorobenzenesulfonamide
CID 106062257
3-(aminomethyl)-N-(3-chloro-2-methylphenyl)-4-fluorobenzenesulfonamide
CID 28717015

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-3-chloro-N-(2-chloro-6-methylphenyl)benzenesulfonamide?
The IUPAC name of 4-(aminomethyl)-3-chloro-N-(2-chloro-6-methylphenyl)benzenesulfonamide (CID 106070735) is 4-(aminomethyl)-3-chloro-N-(2-chloro-6-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-(aminomethyl)-3-chloro-N-(2-chloro-6-methylphenyl)benzenesulfonamide?
The canonical SMILES for 4-(aminomethyl)-3-chloro-N-(2-chloro-6-methylphenyl)benzenesulfonamide is Cc1cccc(Cl)c1NS(=O)(=O)c1ccc(CN)c(Cl)c1.
What is the InChIKey of 4-(aminomethyl)-3-chloro-N-(2-chloro-6-methylphenyl)benzenesulfonamide?
The InChIKey is KMOGOUORACAGRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O2S/c1-9-3-2-4-12(15)14(9)18-21(19,20)11-6-5-10(8-17)13(16)7-11/h2-7,18H,8,17H2,1H3.
What are the key properties of 4-(aminomethyl)-3-chloro-N-(2-chloro-6-methylphenyl)benzenesulfonamide?
4-(aminomethyl)-3-chloro-N-(2-chloro-6-methylphenyl)benzenesulfonamide has a molecular weight of 345.25 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-3-chloro-N-(2-chloro-6-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 106070735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).