4-(3-methylanilino)pyridine-3-sulfonamide

C12H13N3O2S — CID 819349

IUPAC4-(3-methylanilino)pyridine-3-sulfonamide
SMILESCc1cccc(Nc2ccncc2S(N)(=O)=O)c1
InChIInChI=1S/C12H13N3O2S/c1-9-3-2-4-10(7-9)15-11-5-6-14-8-12(11)18(13,16)17/h2-8H,1H3,(H,14,15)(H2,13,16,17)
InChIKeyZXPCUGWAKUIOOF-UHFFFAOYSA-N
MW263.32 g/mol
LogP1.78
Rot. Bonds3

About 4-(3-methylanilino)pyridine-3-sulfonamide

4-(3-methylanilino)pyridine-3-sulfonamide (PubChem CID 819349) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is 4-(3-methylanilino)pyridine-3-sulfonamide.

Molecular Properties

Compound Name4-(3-methylanilino)pyridine-3-sulfonamide
PubChem CID819349
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC Name4-(3-methylanilino)pyridine-3-sulfonamide
SMILESCc1cccc(Nc2ccncc2S(N)(=O)=O)c1
InChIInChI=1S/C12H13N3O2S/c1-9-3-2-4-10(7-9)15-11-5-6-14-8-12(11)18(13,16)17/h2-8H,1H3,(H,14,15)(H2,13,16,17)
InChIKeyZXPCUGWAKUIOOF-UHFFFAOYSA-N
XLogP1.78
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methylanilino)pyridine-3-sulfonamide?
The IUPAC name of 4-(3-methylanilino)pyridine-3-sulfonamide (CID 819349) is 4-(3-methylanilino)pyridine-3-sulfonamide.
What is the SMILES notation for 4-(3-methylanilino)pyridine-3-sulfonamide?
The canonical SMILES for 4-(3-methylanilino)pyridine-3-sulfonamide is Cc1cccc(Nc2ccncc2S(N)(=O)=O)c1.
What is the InChIKey of 4-(3-methylanilino)pyridine-3-sulfonamide?
The InChIKey is ZXPCUGWAKUIOOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/c1-9-3-2-4-10(7-9)15-11-5-6-14-8-12(11)18(13,16)17/h2-8H,1H3,(H,14,15)(H2,13,16,17).
What are the key properties of 4-(3-methylanilino)pyridine-3-sulfonamide?
4-(3-methylanilino)pyridine-3-sulfonamide has a molecular weight of 263.32 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylanilino)pyridine-3-sulfonamide is sourced from PubChem (CID 819349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).