4-chloro-N-[5-(4-cyanoanilino)-2-pyridinyl]-3-methylbenzenesulfonamide

C19H15ClN4O2S — CID 113037337

IUPAC4-chloro-N-[5-(4-cyanoanilino)-2-pyridinyl]-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccc(Nc3ccc(C#N)cc3)cn2)ccc1Cl
InChIInChI=1S/C19H15ClN4O2S/c1-13-10-17(7-8-18(13)20)27(25,26)24-19-9-6-16(12-22-19)23-15-4-2-14(11-21)3-5-15/h2-10,12,23H,1H3,(H,22,24)
InChIKeyRQRQVVZBSHCFLQ-UHFFFAOYSA-N
MW398.88 g/mol
LogP4.46
Rot. Bonds5

About 4-chloro-N-[5-(4-cyanoanilino)-2-pyridinyl]-3-methylbenzenesulfonamide

4-chloro-N-[5-(4-cyanoanilino)-2-pyridinyl]-3-methylbenzenesulfonamide (PubChem CID 113037337) has the molecular formula C19H15ClN4O2S and a molecular weight of 398.88 g/mol. Its IUPAC name is 4-chloro-N-[5-(4-cyanoanilino)-2-pyridinyl]-3-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[5-(4-cyanoanilino)-2-pyridinyl]-3-methylbenzenesulfonamide
PubChem CID113037337
Molecular FormulaC19H15ClN4O2S
Molecular Weight398.88 g/mol
Exact Mass398.06
IUPAC Name4-chloro-N-[5-(4-cyanoanilino)-2-pyridinyl]-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccc(Nc3ccc(C#N)cc3)cn2)ccc1Cl
InChIInChI=1S/C19H15ClN4O2S/c1-13-10-17(7-8-18(13)20)27(25,26)24-19-9-6-16(12-22-19)23-15-4-2-14(11-21)3-5-15/h2-10,12,23H,1H3,(H,22,24)
InChIKeyRQRQVVZBSHCFLQ-UHFFFAOYSA-N
XLogP4.46
TPSA94.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.88
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-N-[5-(4-cyanoanilino)-2-pyridinyl]benzenesulfonamide
CID 113037344
4-chloro-3-methyl-N-[5-(propan-2-ylamino)-2-pyridinyl]benzenesulfonamide
CID 113023662
N-[5-(4-cyanoanilino)-2-pyridinyl]-4-ethylbenzenesulfonamide
CID 113037323
N-(5-cyano-2-pyridinyl)-3,4-dimethylbenzenesulfonamide
CID 62354753
5-chloro-N-[5-(4-cyanoanilino)-2-pyridinyl]thiophene-2-sulfonamide
CID 113037335
N-[5-(3-chloroanilino)-2-pyridinyl]-3,4-dimethylbenzenesulfonamide
CID 113033338
4-chloro-3-methyl-N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]benzenesulfonamide
CID 113027726
N-[6-(4-cyanoanilino)-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide
CID 113022925
4-chloro-3-methyl-N-[6-(propylamino)-3-pyridinyl]benzenesulfonamide
CID 113009140
N-[5-(3,5-dimethylanilino)-2-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide
CID 113032221
N-(4-cyanophenyl)-3,4-dimethylbenzenesulfonamide
CID 26969626
2-chloro-5-cyano-N-(5-methyl-2-pyridinyl)benzenesulfonamide
CID 80704923

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[5-(4-cyanoanilino)-2-pyridinyl]-3-methylbenzenesulfonamide?
The IUPAC name of 4-chloro-N-[5-(4-cyanoanilino)-2-pyridinyl]-3-methylbenzenesulfonamide (CID 113037337) is 4-chloro-N-[5-(4-cyanoanilino)-2-pyridinyl]-3-methylbenzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[5-(4-cyanoanilino)-2-pyridinyl]-3-methylbenzenesulfonamide?
The canonical SMILES for 4-chloro-N-[5-(4-cyanoanilino)-2-pyridinyl]-3-methylbenzenesulfonamide is Cc1cc(S(=O)(=O)Nc2ccc(Nc3ccc(C#N)cc3)cn2)ccc1Cl.
What is the InChIKey of 4-chloro-N-[5-(4-cyanoanilino)-2-pyridinyl]-3-methylbenzenesulfonamide?
The InChIKey is RQRQVVZBSHCFLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4O2S/c1-13-10-17(7-8-18(13)20)27(25,26)24-19-9-6-16(12-22-19)23-15-4-2-14(11-21)3-5-15/h2-10,12,23H,1H3,(H,22,24).
What are the key properties of 4-chloro-N-[5-(4-cyanoanilino)-2-pyridinyl]-3-methylbenzenesulfonamide?
4-chloro-N-[5-(4-cyanoanilino)-2-pyridinyl]-3-methylbenzenesulfonamide has a molecular weight of 398.88 g/mol, XLogP of 4.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[5-(4-cyanoanilino)-2-pyridinyl]-3-methylbenzenesulfonamide is sourced from PubChem (CID 113037337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).