N-[5-[(4-chlorophenyl)methylamino]-2-pyridinyl]-4-methylbenzenesulfonamide

C19H18ClN3O2S — CID 113027303

IUPACN-[5-[(4-chlorophenyl)methylamino]-2-pyridinyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(NCc3ccc(Cl)cc3)cn2)cc1
InChIInChI=1S/C19H18ClN3O2S/c1-14-2-9-18(10-3-14)26(24,25)23-19-11-8-17(13-22-19)21-12-15-4-6-16(20)7-5-15/h2-11,13,21H,12H2,1H3,(H,22,23)
InChIKeyIKEAVXRLSMAZOT-UHFFFAOYSA-N
MW387.89 g/mol
LogP4.46
Rot. Bonds6

About N-[5-[(4-chlorophenyl)methylamino]-2-pyridinyl]-4-methylbenzenesulfonamide

N-[5-[(4-chlorophenyl)methylamino]-2-pyridinyl]-4-methylbenzenesulfonamide (PubChem CID 113027303) has the molecular formula C19H18ClN3O2S and a molecular weight of 387.89 g/mol. Its IUPAC name is N-[5-[(4-chlorophenyl)methylamino]-2-pyridinyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[5-[(4-chlorophenyl)methylamino]-2-pyridinyl]-4-methylbenzenesulfonamide
PubChem CID113027303
Molecular FormulaC19H18ClN3O2S
Molecular Weight387.89 g/mol
Exact Mass387.08
IUPAC NameN-[5-[(4-chlorophenyl)methylamino]-2-pyridinyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(NCc3ccc(Cl)cc3)cn2)cc1
InChIInChI=1S/C19H18ClN3O2S/c1-14-2-9-18(10-3-14)26(24,25)23-19-11-8-17(13-22-19)21-12-15-4-6-16(20)7-5-15/h2-11,13,21H,12H2,1H3,(H,22,23)
InChIKeyIKEAVXRLSMAZOT-UHFFFAOYSA-N
XLogP4.46
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.89
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]benzenesulfonamide
CID 113027143
4-chloro-N-(5-methyl-2-pyridinyl)benzenesulfonamide
CID 759580
4-fluoro-N-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]-3-methylbenzenesulfonamide
CID 113027151
2,4-dimethyl-N-[5-[(4-methylphenyl)methylamino]-2-pyridinyl]benzenesulfonamide
CID 113026753
N-[5-[(4-methylphenyl)methylamino]-2-pyridinyl]-1,3-benzodioxole-5-sulfonamide
CID 113026762
4-methyl-N-[4-[(4-methylphenyl)methylamino]phenyl]benzenesulfonamide
CID 112982191
4-chloro-N-[5-(pentylamino)-2-pyridinyl]benzenesulfonamide
CID 113030458
4-chloro-N-[5-(3-methylbutylamino)-2-pyridinyl]benzenesulfonamide
CID 113030332
4-methyl-N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]benzenesulfonamide
CID 16942030
N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]methanesulfonamide
CID 113012323
4-(chloromethyl)-N-(5-methyl-2-pyridinyl)benzenesulfonamide
CID 114279681
4-chloro-N-[5-(hydroxymethyl)-2-pyridinyl]benzenesulfonamide
CID 82343403

Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-chlorophenyl)methylamino]-2-pyridinyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[5-[(4-chlorophenyl)methylamino]-2-pyridinyl]-4-methylbenzenesulfonamide (CID 113027303) is N-[5-[(4-chlorophenyl)methylamino]-2-pyridinyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[5-[(4-chlorophenyl)methylamino]-2-pyridinyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[5-[(4-chlorophenyl)methylamino]-2-pyridinyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(NCc3ccc(Cl)cc3)cn2)cc1.
What is the InChIKey of N-[5-[(4-chlorophenyl)methylamino]-2-pyridinyl]-4-methylbenzenesulfonamide?
The InChIKey is IKEAVXRLSMAZOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2S/c1-14-2-9-18(10-3-14)26(24,25)23-19-11-8-17(13-22-19)21-12-15-4-6-16(20)7-5-15/h2-11,13,21H,12H2,1H3,(H,22,23).
What are the key properties of N-[5-[(4-chlorophenyl)methylamino]-2-pyridinyl]-4-methylbenzenesulfonamide?
N-[5-[(4-chlorophenyl)methylamino]-2-pyridinyl]-4-methylbenzenesulfonamide has a molecular weight of 387.89 g/mol, XLogP of 4.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-chlorophenyl)methylamino]-2-pyridinyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 113027303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).