2-(aminomethyl)-N-(4-chlorophenyl)benzenesulfonamide

C13H13ClN2O2S — CID 106060822

IUPAC2-(aminomethyl)-N-(4-chlorophenyl)benzenesulfonamide
SMILESNCc1ccccc1S(=O)(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C13H13ClN2O2S/c14-11-5-7-12(8-6-11)16-19(17,18)13-4-2-1-3-10(13)9-15/h1-8,16H,9,15H2
InChIKeyWRMUXWOKMOPHDR-UHFFFAOYSA-N
MW296.78 g/mol
LogP2.60
Rot. Bonds4

About 2-(aminomethyl)-N-(4-chlorophenyl)benzenesulfonamide

2-(aminomethyl)-N-(4-chlorophenyl)benzenesulfonamide (PubChem CID 106060822) has the molecular formula C13H13ClN2O2S and a molecular weight of 296.78 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(4-chlorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(4-chlorophenyl)benzenesulfonamide
PubChem CID106060822
Molecular FormulaC13H13ClN2O2S
Molecular Weight296.78 g/mol
Exact Mass296.04
IUPAC Name2-(aminomethyl)-N-(4-chlorophenyl)benzenesulfonamide
SMILESNCc1ccccc1S(=O)(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C13H13ClN2O2S/c14-11-5-7-12(8-6-11)16-19(17,18)13-4-2-1-3-10(13)9-15/h1-8,16H,9,15H2
InChIKeyWRMUXWOKMOPHDR-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

2-(aminomethyl)-N-(3-chlorophenyl)benzenesulfonamide
CID 106060498
2-(aminomethyl)-N-(4-methoxyphenyl)benzenesulfonamide
CID 16782068
2-(aminomethyl)-N-(4-chloro-2-iodophenyl)benzenesulfonamide
CID 106087423
2-(aminomethyl)-N-(3,4,5-trifluorophenyl)benzenesulfonamide
CID 62809509
2-(aminomethyl)-N-(2-chloro-4-iodophenyl)benzenesulfonamide
CID 106006776
2-(aminomethyl)-N-(2-chloro-5-fluorophenyl)benzenesulfonamide
CID 106088506
5-(aminomethyl)-N-(4-chlorophenyl)thiophene-2-sulfonamide
CID 43155736
5-amino-N-(4-chlorophenyl)naphthalene-1-sulfonamide
CID 71378128
2-(aminomethyl)-5-fluoro-N-(4-fluorophenyl)benzenesulfonamide
CID 106061701
2-(aminomethyl)-N-(2,2-difluoroethyl)benzenesulfonamide
CID 115406487
5-(aminomethyl)-2-bromo-N-(4-chlorophenyl)thiophene-3-sulfonamide
CID 106060874
2-amino-5-chloro-N-(4-chlorophenyl)benzenesulfonamide
CID 54888841

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(4-chlorophenyl)benzenesulfonamide?
The IUPAC name of 2-(aminomethyl)-N-(4-chlorophenyl)benzenesulfonamide (CID 106060822) is 2-(aminomethyl)-N-(4-chlorophenyl)benzenesulfonamide.
What is the SMILES notation for 2-(aminomethyl)-N-(4-chlorophenyl)benzenesulfonamide?
The canonical SMILES for 2-(aminomethyl)-N-(4-chlorophenyl)benzenesulfonamide is NCc1ccccc1S(=O)(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of 2-(aminomethyl)-N-(4-chlorophenyl)benzenesulfonamide?
The InChIKey is WRMUXWOKMOPHDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2S/c14-11-5-7-12(8-6-11)16-19(17,18)13-4-2-1-3-10(13)9-15/h1-8,16H,9,15H2.
What are the key properties of 2-(aminomethyl)-N-(4-chlorophenyl)benzenesulfonamide?
2-(aminomethyl)-N-(4-chlorophenyl)benzenesulfonamide 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 2-(aminomethyl)-N-(4-chlorophenyl)benzenesulfonamide is sourced from PubChem (CID 106060822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).