N-[3-(aminomethyl)phenyl]-2-chlorobenzenesulfonamide

C13H13ClN2O2S — CID 63254779

IUPACN-[3-(aminomethyl)phenyl]-2-chlorobenzenesulfonamide
SMILESNCc1cccc(NS(=O)(=O)c2ccccc2Cl)c1
InChIInChI=1S/C13H13ClN2O2S/c14-12-6-1-2-7-13(12)19(17,18)16-11-5-3-4-10(8-11)9-15/h1-8,16H,9,15H2
InChIKeyBOFCFYBYIMVLPL-UHFFFAOYSA-N
MW296.78 g/mol
LogP2.60
Rot. Bonds4

About N-[3-(aminomethyl)phenyl]-2-chlorobenzenesulfonamide

N-[3-(aminomethyl)phenyl]-2-chlorobenzenesulfonamide (PubChem CID 63254779) has the molecular formula C13H13ClN2O2S and a molecular weight of 296.78 g/mol. Its IUPAC name is N-[3-(aminomethyl)phenyl]-2-chlorobenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)phenyl]-2-chlorobenzenesulfonamide
PubChem CID63254779
Molecular FormulaC13H13ClN2O2S
Molecular Weight296.78 g/mol
Exact Mass296.04
IUPAC NameN-[3-(aminomethyl)phenyl]-2-chlorobenzenesulfonamide
SMILESNCc1cccc(NS(=O)(=O)c2ccccc2Cl)c1
InChIInChI=1S/C13H13ClN2O2S/c14-12-6-1-2-7-13(12)19(17,18)16-11-5-3-4-10(8-11)9-15/h1-8,16H,9,15H2
InChIKeyBOFCFYBYIMVLPL-UHFFFAOYSA-N
XLogP2.60
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.78
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(aminomethyl)phenyl]-2-bromobenzenesulfonamide
CID 63254732
N-(3-aminophenyl)-2-chlorobenzenesulfonamide
CID 39382570
N-[3-(aminomethyl)phenyl]-4-bromo-2,6-dichlorobenzenesulfonamide
CID 63254778
N-[3-(2-aminoethoxy)phenyl]-2-chlorobenzenesulfonamide
CID 63120987
5-(aminomethyl)-2-chloro-N-(3,4-dichlorophenyl)benzenesulfonamide
CID 106059474
N-[3-(aminomethyl)phenyl]-2,4-dibromobenzenesulfonamide
CID 63254135
N-[3-(aminomethyl)phenyl]-5-bromo-4-chlorothiophene-2-sulfonamide
CID 80577855
2-(aminomethyl)-N-(3-chlorophenyl)benzenesulfonamide
CID 106060498
N-[3-(aminomethyl)phenyl]methanesulfonamide
CID 10495443
N-[3-(aminomethyl)phenyl]-4-bromo-2-fluorobenzenesulfonamide
CID 116527872
5-(aminomethyl)-2-chloro-N-(4-iodophenyl)benzenesulfonamide
CID 106029582
5-(aminomethyl)-2-chloro-N-(3,5-dichlorophenyl)benzenesulfonamide
CID 106058925

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)phenyl]-2-chlorobenzenesulfonamide?
The IUPAC name of N-[3-(aminomethyl)phenyl]-2-chlorobenzenesulfonamide (CID 63254779) is N-[3-(aminomethyl)phenyl]-2-chlorobenzenesulfonamide.
What is the SMILES notation for N-[3-(aminomethyl)phenyl]-2-chlorobenzenesulfonamide?
The canonical SMILES for N-[3-(aminomethyl)phenyl]-2-chlorobenzenesulfonamide is NCc1cccc(NS(=O)(=O)c2ccccc2Cl)c1.
What is the InChIKey of N-[3-(aminomethyl)phenyl]-2-chlorobenzenesulfonamide?
The InChIKey is BOFCFYBYIMVLPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2S/c14-12-6-1-2-7-13(12)19(17,18)16-11-5-3-4-10(8-11)9-15/h1-8,16H,9,15H2.
What are the key properties of N-[3-(aminomethyl)phenyl]-2-chlorobenzenesulfonamide?
N-[3-(aminomethyl)phenyl]-2-chlorobenzenesulfonamide has a molecular weight of 296.78 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)phenyl]-2-chlorobenzenesulfonamide is sourced from PubChem (CID 63254779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).