4-chloro-3-methyl-N-[5-(propan-2-ylamino)-2-pyridinyl]benzenesulfonamide

C15H18ClN3O2S — CID 113023662

IUPAC4-chloro-3-methyl-N-[5-(propan-2-ylamino)-2-pyridinyl]benzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccc(NC(C)C)cn2)ccc1Cl
InChIInChI=1S/C15H18ClN3O2S/c1-10(2)18-12-4-7-15(17-9-12)19-22(20,21)13-5-6-14(16)11(3)8-13/h4-10,18H,1-3H3,(H,17,19)
InChIKeyPCDTYBKLCCWHFY-UHFFFAOYSA-N
MW339.85 g/mol
LogP3.66
Rot. Bonds5

About 4-chloro-3-methyl-N-[5-(propan-2-ylamino)-2-pyridinyl]benzenesulfonamide

4-chloro-3-methyl-N-[5-(propan-2-ylamino)-2-pyridinyl]benzenesulfonamide (PubChem CID 113023662) has the molecular formula C15H18ClN3O2S and a molecular weight of 339.85 g/mol. Its IUPAC name is 4-chloro-3-methyl-N-[5-(propan-2-ylamino)-2-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-3-methyl-N-[5-(propan-2-ylamino)-2-pyridinyl]benzenesulfonamide
PubChem CID113023662
Molecular FormulaC15H18ClN3O2S
Molecular Weight339.85 g/mol
Exact Mass339.08
IUPAC Name4-chloro-3-methyl-N-[5-(propan-2-ylamino)-2-pyridinyl]benzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccc(NC(C)C)cn2)ccc1Cl
InChIInChI=1S/C15H18ClN3O2S/c1-10(2)18-12-4-7-15(17-9-12)19-22(20,21)13-5-6-14(16)11(3)8-13/h4-10,18H,1-3H3,(H,17,19)
InChIKeyPCDTYBKLCCWHFY-UHFFFAOYSA-N
XLogP3.66
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.85
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[5-(4-cyanoanilino)-2-pyridinyl]-3-methylbenzenesulfonamide
CID 113037337
4-chloro-3-methyl-N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]benzenesulfonamide
CID 113027726
4-chloro-3-methyl-N-[6-(propylamino)-3-pyridinyl]benzenesulfonamide
CID 113009140
3,4-dichloro-N-(5-chloro-2-pyridinyl)benzenesulfonamide
CID 74229116
4-ethyl-N-[5-(propan-2-ylamino)-2-pyridinyl]benzenesulfonamide
CID 113023639
4-chloro-3-methyl-N-propan-2-ylbenzenesulfonamide
CID 39845241
N-[5-(3-chloroanilino)-2-pyridinyl]-3,4-dimethylbenzenesulfonamide
CID 113033338
4-chloro-N-(3-chloro-4-methylphenyl)-3-methylbenzenesulfonamide
CID 16644802
4-chloro-N-(4-hydroxyphenyl)-3-methylbenzenesulfonamide
CID 697402
N-(4-bromophenyl)-4-chloro-3-methylbenzenesulfonamide
CID 7718536
2-chloro-5-[(5-methyl-2-pyridinyl)sulfamoyl]benzoic acid
CID 28519051
N-[6-(4-chloroanilino)-3-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide
CID 113018657

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-methyl-N-[5-(propan-2-ylamino)-2-pyridinyl]benzenesulfonamide?
The IUPAC name of 4-chloro-3-methyl-N-[5-(propan-2-ylamino)-2-pyridinyl]benzenesulfonamide (CID 113023662) is 4-chloro-3-methyl-N-[5-(propan-2-ylamino)-2-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-3-methyl-N-[5-(propan-2-ylamino)-2-pyridinyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-3-methyl-N-[5-(propan-2-ylamino)-2-pyridinyl]benzenesulfonamide is Cc1cc(S(=O)(=O)Nc2ccc(NC(C)C)cn2)ccc1Cl.
What is the InChIKey of 4-chloro-3-methyl-N-[5-(propan-2-ylamino)-2-pyridinyl]benzenesulfonamide?
The InChIKey is PCDTYBKLCCWHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2S/c1-10(2)18-12-4-7-15(17-9-12)19-22(20,21)13-5-6-14(16)11(3)8-13/h4-10,18H,1-3H3,(H,17,19).
What are the key properties of 4-chloro-3-methyl-N-[5-(propan-2-ylamino)-2-pyridinyl]benzenesulfonamide?
4-chloro-3-methyl-N-[5-(propan-2-ylamino)-2-pyridinyl]benzenesulfonamide has a molecular weight of 339.85 g/mol, XLogP of 3.66, 5 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-[5-(propan-2-ylamino)-2-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 113023662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).