6-[3-(aminomethyl)anilino]pyridine-3-sulfonamide

C12H14N4O2S — CID 63767785

IUPAC6-[3-(aminomethyl)anilino]pyridine-3-sulfonamide
SMILESNCc1cccc(Nc2ccc(S(N)(=O)=O)cn2)c1
InChIInChI=1S/C12H14N4O2S/c13-7-9-2-1-3-10(6-9)16-12-5-4-11(8-15-12)19(14,17)18/h1-6,8H,7,13H2,(H,15,16)(H2,14,17,18)
InChIKeyDFAHRDKSDVDNLQ-UHFFFAOYSA-N
MW278.34 g/mol
LogP0.93
Rot. Bonds4

About 6-[3-(aminomethyl)anilino]pyridine-3-sulfonamide

6-[3-(aminomethyl)anilino]pyridine-3-sulfonamide (PubChem CID 63767785) has the molecular formula C12H14N4O2S and a molecular weight of 278.34 g/mol. Its IUPAC name is 6-[3-(aminomethyl)anilino]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[3-(aminomethyl)anilino]pyridine-3-sulfonamide
PubChem CID63767785
Molecular FormulaC12H14N4O2S
Molecular Weight278.34 g/mol
Exact Mass278.08
IUPAC Name6-[3-(aminomethyl)anilino]pyridine-3-sulfonamide
SMILESNCc1cccc(Nc2ccc(S(N)(=O)=O)cn2)c1
InChIInChI=1S/C12H14N4O2S/c13-7-9-2-1-3-10(6-9)16-12-5-4-11(8-15-12)19(14,17)18/h1-6,8H,7,13H2,(H,15,16)(H2,14,17,18)
InChIKeyDFAHRDKSDVDNLQ-UHFFFAOYSA-N
XLogP0.93
TPSA111.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-anilinopyridine-3-sulfonamide
CID 154206301
3-(aminomethyl)-N-[3-(aminomethyl)phenyl]aniline
CID 174680323
2-[3-(aminomethyl)anilino]benzenesulfonamide
CID 63767784
N-[3-(aminomethyl)phenyl]quinoxalin-2-amine
CID 63767788
4-[3-(aminomethyl)anilino]-N,N-dimethylbenzenesulfonamide
CID 63767795
N-[6-[3-(aminomethyl)anilino]pyrimidin-4-yl]hydroxylamine
CID 174299502
2-N-(3-ethylphenyl)pyridine-2,5-diamine
CID 20714461
4-[3-(aminomethyl)anilino]-6-methylsulfonylquinoline-3-carboxamide
CID 44564774
5-chloro-N-[3-(chloromethyl)phenyl]pyridin-2-amine
CID 65027600
4-[[6-[3-(aminomethyl)phenyl]-7H-purin-2-yl]amino]benzenesulfonamide
CID 164577972
N-[3-(aminomethyl)phenyl]methanesulfonamide
CID 10495443
N-[3-(chloromethyl)phenyl]-5-methylpyridin-2-amine
CID 65027661

Frequently Asked Questions

What is the IUPAC name of 6-[3-(aminomethyl)anilino]pyridine-3-sulfonamide?
The IUPAC name of 6-[3-(aminomethyl)anilino]pyridine-3-sulfonamide (CID 63767785) is 6-[3-(aminomethyl)anilino]pyridine-3-sulfonamide.
What is the SMILES notation for 6-[3-(aminomethyl)anilino]pyridine-3-sulfonamide?
The canonical SMILES for 6-[3-(aminomethyl)anilino]pyridine-3-sulfonamide is NCc1cccc(Nc2ccc(S(N)(=O)=O)cn2)c1.
What is the InChIKey of 6-[3-(aminomethyl)anilino]pyridine-3-sulfonamide?
The InChIKey is DFAHRDKSDVDNLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2S/c13-7-9-2-1-3-10(6-9)16-12-5-4-11(8-15-12)19(14,17)18/h1-6,8H,7,13H2,(H,15,16)(H2,14,17,18).
What are the key properties of 6-[3-(aminomethyl)anilino]pyridine-3-sulfonamide?
6-[3-(aminomethyl)anilino]pyridine-3-sulfonamide has a molecular weight of 278.34 g/mol, XLogP of 0.93, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(aminomethyl)anilino]pyridine-3-sulfonamide is sourced from PubChem (CID 63767785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).