4-chloro-3-methyl-N-[6-(propylamino)-3-pyridinyl]benzenesulfonamide

C15H18ClN3O2S — CID 113009140

IUPAC4-chloro-3-methyl-N-[6-(propylamino)-3-pyridinyl]benzenesulfonamide
SMILESCCCNc1ccc(NS(=O)(=O)c2ccc(Cl)c(C)c2)cn1
InChIInChI=1S/C15H18ClN3O2S/c1-3-8-17-15-7-4-12(10-18-15)19-22(20,21)13-5-6-14(16)11(2)9-13/h4-7,9-10,19H,3,8H2,1-2H3,(H,17,18)
InChIKeyHUBFVDMMPBGQFK-UHFFFAOYSA-N
MW339.85 g/mol
LogP3.67
Rot. Bonds6

About 4-chloro-3-methyl-N-[6-(propylamino)-3-pyridinyl]benzenesulfonamide

4-chloro-3-methyl-N-[6-(propylamino)-3-pyridinyl]benzenesulfonamide (PubChem CID 113009140) has the molecular formula C15H18ClN3O2S and a molecular weight of 339.85 g/mol. Its IUPAC name is 4-chloro-3-methyl-N-[6-(propylamino)-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-3-methyl-N-[6-(propylamino)-3-pyridinyl]benzenesulfonamide
PubChem CID113009140
Molecular FormulaC15H18ClN3O2S
Molecular Weight339.85 g/mol
Exact Mass339.08
IUPAC Name4-chloro-3-methyl-N-[6-(propylamino)-3-pyridinyl]benzenesulfonamide
SMILESCCCNc1ccc(NS(=O)(=O)c2ccc(Cl)c(C)c2)cn1
InChIInChI=1S/C15H18ClN3O2S/c1-3-8-17-15-7-4-12(10-18-15)19-22(20,21)13-5-6-14(16)11(2)9-13/h4-7,9-10,19H,3,8H2,1-2H3,(H,17,18)
InChIKeyHUBFVDMMPBGQFK-UHFFFAOYSA-N
XLogP3.67
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.85
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-3-methyl-N-[5-(propan-2-ylamino)-2-pyridinyl]benzenesulfonamide
CID 113023662
N-[6-(propylamino)-3-pyridinyl]-1,3-benzodioxole-5-sulfonamide
CID 113009130
N-(4-fluorophenyl)-6-(propylamino)pyridine-3-sulfonamide
CID 62145210
N-[6-[3-(dimethylamino)propylamino]-3-pyridinyl]-3,4-dimethylbenzenesulfonamide
CID 113010999
4-chloro-3-methyl-N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]benzenesulfonamide
CID 113027726
2-oxo-N-[6-(propylamino)-3-pyridinyl]-1,3-dihydroindole-5-sulfonamide
CID 113009145
4-fluoro-N-[6-(2-methoxyethylamino)-3-pyridinyl]-3-methylbenzenesulfonamide
CID 113010405
4-chloro-N-(3-chloro-4-methylphenyl)-3-methylbenzenesulfonamide
CID 16644802
3-methyl-N-[6-(pentylamino)-3-pyridinyl]benzenesulfonamide
CID 113015298
N-[6-(butylamino)-3-pyridinyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 113009531
N-[5-(butylamino)-2-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide
CID 113024046
4-chloro-N-[5-(4-cyanoanilino)-2-pyridinyl]-3-methylbenzenesulfonamide
CID 113037337

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-methyl-N-[6-(propylamino)-3-pyridinyl]benzenesulfonamide?
The IUPAC name of 4-chloro-3-methyl-N-[6-(propylamino)-3-pyridinyl]benzenesulfonamide (CID 113009140) is 4-chloro-3-methyl-N-[6-(propylamino)-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-3-methyl-N-[6-(propylamino)-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-3-methyl-N-[6-(propylamino)-3-pyridinyl]benzenesulfonamide is CCCNc1ccc(NS(=O)(=O)c2ccc(Cl)c(C)c2)cn1.
What is the InChIKey of 4-chloro-3-methyl-N-[6-(propylamino)-3-pyridinyl]benzenesulfonamide?
The InChIKey is HUBFVDMMPBGQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2S/c1-3-8-17-15-7-4-12(10-18-15)19-22(20,21)13-5-6-14(16)11(2)9-13/h4-7,9-10,19H,3,8H2,1-2H3,(H,17,18).
What are the key properties of 4-chloro-3-methyl-N-[6-(propylamino)-3-pyridinyl]benzenesulfonamide?
4-chloro-3-methyl-N-[6-(propylamino)-3-pyridinyl]benzenesulfonamide has a molecular weight of 339.85 g/mol, XLogP of 3.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-methyl-N-[6-(propylamino)-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 113009140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).