2-[2-(aminomethyl)anilino]benzenesulfonamide

C13H15N3O2S — CID 63761931

IUPAC2-[2-(aminomethyl)anilino]benzenesulfonamide
SMILESNCc1ccccc1Nc1ccccc1S(N)(=O)=O
InChIInChI=1S/C13H15N3O2S/c14-9-10-5-1-2-6-11(10)16-12-7-3-4-8-13(12)19(15,17)18/h1-8,16H,9,14H2,(H2,15,17,18)
InChIKeyGLTWSSIUVADMIA-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.54
Rot. Bonds4

About 2-[2-(aminomethyl)anilino]benzenesulfonamide

2-[2-(aminomethyl)anilino]benzenesulfonamide (PubChem CID 63761931) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 2-[2-(aminomethyl)anilino]benzenesulfonamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)anilino]benzenesulfonamide
PubChem CID63761931
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name2-[2-(aminomethyl)anilino]benzenesulfonamide
SMILESNCc1ccccc1Nc1ccccc1S(N)(=O)=O
InChIInChI=1S/C13H15N3O2S/c14-9-10-5-1-2-6-11(10)16-12-7-3-4-8-13(12)19(15,17)18/h1-8,16H,9,14H2,(H2,15,17,18)
InChIKeyGLTWSSIUVADMIA-UHFFFAOYSA-N
XLogP1.54
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(aminomethyl)anilino]-N,N-dimethylbenzenesulfonamide
CID 63759564
2-[3-(aminomethyl)anilino]benzenesulfonamide
CID 63767784
2-(aminomethyl)-N-(4-ethylsulfonylphenyl)aniline
CID 63759186
2-[[1-[2-(aminomethyl)phenyl]-3-(trifluoromethyl)pyrazol-5-yl]amino]benzenesulfonamide
CID 174572060
2-(cyclobuten-1-ylamino)benzenesulfonamide
CID 151014054
5-amino-3-(2-ethylanilino)-2-methylbenzenesulfonamide
CID 79899523
2-(2,2-dimethylpropylamino)benzenesulfonamide
CID 61166662
2-(5-amino-2-chloroanilino)benzenesulfonamide
CID 54903074
3-amino-N-(2-sulfamoylphenyl)propanamide
CID 10705385
2-[(3-amino-2,2-difluoropropyl)amino]benzenesulfonamide
CID 114384513
2-(2,2-difluoroethylamino)benzenesulfonamide
CID 115407559
N-[2-(aminomethyl)phenyl]pyrimidin-2-amine
CID 63760524

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)anilino]benzenesulfonamide?
The IUPAC name of 2-[2-(aminomethyl)anilino]benzenesulfonamide (CID 63761931) is 2-[2-(aminomethyl)anilino]benzenesulfonamide.
What is the SMILES notation for 2-[2-(aminomethyl)anilino]benzenesulfonamide?
The canonical SMILES for 2-[2-(aminomethyl)anilino]benzenesulfonamide is NCc1ccccc1Nc1ccccc1S(N)(=O)=O.
What is the InChIKey of 2-[2-(aminomethyl)anilino]benzenesulfonamide?
The InChIKey is GLTWSSIUVADMIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c14-9-10-5-1-2-6-11(10)16-12-7-3-4-8-13(12)19(15,17)18/h1-8,16H,9,14H2,(H2,15,17,18).
What are the key properties of 2-[2-(aminomethyl)anilino]benzenesulfonamide?
2-[2-(aminomethyl)anilino]benzenesulfonamide has a molecular weight of 277.35 g/mol, XLogP of 1.54, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)anilino]benzenesulfonamide is sourced from PubChem (CID 63761931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).