2-[3-(aminomethyl)anilino]benzenesulfonamide

C13H15N3O2S — CID 63767784

IUPAC2-[3-(aminomethyl)anilino]benzenesulfonamide
SMILESNCc1cccc(Nc2ccccc2S(N)(=O)=O)c1
InChIInChI=1S/C13H15N3O2S/c14-9-10-4-3-5-11(8-10)16-12-6-1-2-7-13(12)19(15,17)18/h1-8,16H,9,14H2,(H2,15,17,18)
InChIKeyLNQKPKMLIZFHJF-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.54
Rot. Bonds4

About 2-[3-(aminomethyl)anilino]benzenesulfonamide

2-[3-(aminomethyl)anilino]benzenesulfonamide (PubChem CID 63767784) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 2-[3-(aminomethyl)anilino]benzenesulfonamide.

Molecular Properties

Compound Name2-[3-(aminomethyl)anilino]benzenesulfonamide
PubChem CID63767784
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name2-[3-(aminomethyl)anilino]benzenesulfonamide
SMILESNCc1cccc(Nc2ccccc2S(N)(=O)=O)c1
InChIInChI=1S/C13H15N3O2S/c14-9-10-4-3-5-11(8-10)16-12-6-1-2-7-13(12)19(15,17)18/h1-8,16H,9,14H2,(H2,15,17,18)
InChIKeyLNQKPKMLIZFHJF-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

3-(aminomethyl)-N-[3-(aminomethyl)phenyl]aniline
CID 174680323
2-[2-(aminomethyl)anilino]benzenesulfonamide
CID 63761931
N-[3-(aminomethyl)phenyl]-2-bromobenzenesulfonamide
CID 63254732
N-[3-(aminomethyl)phenyl]-2-chlorobenzenesulfonamide
CID 63254779
6-[3-(aminomethyl)anilino]pyridine-3-sulfonamide
CID 63767785
N-[3-(aminomethyl)phenyl]methanesulfonamide
CID 10495443
N-[3-(aminomethyl)phenyl]-5-methyl-1,2-oxazol-4-amine
CID 115022985
4-(bromomethyl)-2-(3-chloroanilino)benzenesulfonamide
CID 19023266
4-[3-(aminomethyl)anilino]-N,N-dimethylbenzenesulfonamide
CID 63767795
N-[3-(aminomethyl)phenyl]cinnolin-4-amine
CID 63767613
N-[3-(aminomethyl)phenyl]-2,4-dibromobenzenesulfonamide
CID 63254135
methyl 3-[3-(aminomethyl)anilino]benzoate
CID 117027328

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)anilino]benzenesulfonamide?
The IUPAC name of 2-[3-(aminomethyl)anilino]benzenesulfonamide (CID 63767784) is 2-[3-(aminomethyl)anilino]benzenesulfonamide.
What is the SMILES notation for 2-[3-(aminomethyl)anilino]benzenesulfonamide?
The canonical SMILES for 2-[3-(aminomethyl)anilino]benzenesulfonamide is NCc1cccc(Nc2ccccc2S(N)(=O)=O)c1.
What is the InChIKey of 2-[3-(aminomethyl)anilino]benzenesulfonamide?
The InChIKey is LNQKPKMLIZFHJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c14-9-10-4-3-5-11(8-10)16-12-6-1-2-7-13(12)19(15,17)18/h1-8,16H,9,14H2,(H2,15,17,18).
What are the key properties of 2-[3-(aminomethyl)anilino]benzenesulfonamide?
2-[3-(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-[3-(aminomethyl)anilino]benzenesulfonamide is sourced from PubChem (CID 63767784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).