N-[[3-(aminomethyl)phenyl]methyl]benzenesulfonamide

C14H16N2O2S — CID 43589421

IUPACN-[[3-(aminomethyl)phenyl]methyl]benzenesulfonamide
SMILESNCc1cccc(CNS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C14H16N2O2S/c15-10-12-5-4-6-13(9-12)11-16-19(17,18)14-7-2-1-3-8-14/h1-9,16H,10-11,15H2
InChIKeyJYRGSKJZHCVCTH-UHFFFAOYSA-N
MW276.36 g/mol
LogP1.62
Rot. Bonds5

About N-[[3-(aminomethyl)phenyl]methyl]benzenesulfonamide

N-[[3-(aminomethyl)phenyl]methyl]benzenesulfonamide (PubChem CID 43589421) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is N-[[3-(aminomethyl)phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[[3-(aminomethyl)phenyl]methyl]benzenesulfonamide
PubChem CID43589421
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC NameN-[[3-(aminomethyl)phenyl]methyl]benzenesulfonamide
SMILESNCc1cccc(CNS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C14H16N2O2S/c15-10-12-5-4-6-13(9-12)11-16-19(17,18)14-7-2-1-3-8-14/h1-9,16H,10-11,15H2
InChIKeyJYRGSKJZHCVCTH-UHFFFAOYSA-N
XLogP1.62
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-benzylbenzenesulfonamide;hydrochloride
CID 22051273
3-(aminomethyl)-N-[(2-chlorophenyl)methyl]benzenesulfonamide
CID 106058641
N-[[3-(aminomethyl)phenyl]methyl]-1-methylpyrazole-4-sulfonamide
CID 55030523
N-[[4-(aminomethyl)phenyl]methyl]-3-chlorobenzenesulfonamide
CID 81090139
N-benzyl-3-chlorobenzenesulfonamide
CID 2405255
3-(aminomethyl)-N-(cyclopropylmethyl)benzenesulfonamide
CID 16794301
3-fluoro-N-[(3-fluorophenyl)methyl]benzenesulfonamide
CID 25046873
N-[[4-(aminomethyl)phenyl]methyl]-4-chlorobenzenesulfonamide
CID 81089757
N-[[4-(aminomethyl)phenyl]methyl]-4-methylbenzenesulfonamide
CID 60919101
3-(aminomethyl)-N-(2,2-difluoroethyl)benzenesulfonamide
CID 115406483
N-benzyl-3-(hydrazinecarbonyl)benzenesulfonamide
CID 2442245
N-benzyl-4-fluorobenzenesulfonamide
CID 835474

Frequently Asked Questions

What is the IUPAC name of N-[[3-(aminomethyl)phenyl]methyl]benzenesulfonamide?
The IUPAC name of N-[[3-(aminomethyl)phenyl]methyl]benzenesulfonamide (CID 43589421) is N-[[3-(aminomethyl)phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for N-[[3-(aminomethyl)phenyl]methyl]benzenesulfonamide?
The canonical SMILES for N-[[3-(aminomethyl)phenyl]methyl]benzenesulfonamide is NCc1cccc(CNS(=O)(=O)c2ccccc2)c1.
What is the InChIKey of N-[[3-(aminomethyl)phenyl]methyl]benzenesulfonamide?
The InChIKey is JYRGSKJZHCVCTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c15-10-12-5-4-6-13(9-12)11-16-19(17,18)14-7-2-1-3-8-14/h1-9,16H,10-11,15H2.
What are the key properties of N-[[3-(aminomethyl)phenyl]methyl]benzenesulfonamide?
N-[[3-(aminomethyl)phenyl]methyl]benzenesulfonamide has a molecular weight of 276.36 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(aminomethyl)phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 43589421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).