N-[6-(5-chloro-2-methylanilino)-3-pyridinyl]-4-methylbenzenesulfonamide

C19H18ClN3O2S — CID 113018806

IUPACN-[6-(5-chloro-2-methylanilino)-3-pyridinyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(Nc3cc(Cl)ccc3C)nc2)cc1
InChIInChI=1S/C19H18ClN3O2S/c1-13-3-8-17(9-4-13)26(24,25)23-16-7-10-19(21-12-16)22-18-11-15(20)6-5-14(18)2/h3-12,23H,1-2H3,(H,21,22)
InChIKeyCUKIFPCTJICVDX-UHFFFAOYSA-N
MW387.89 g/mol
LogP4.90
Rot. Bonds5

About N-[6-(5-chloro-2-methylanilino)-3-pyridinyl]-4-methylbenzenesulfonamide

N-[6-(5-chloro-2-methylanilino)-3-pyridinyl]-4-methylbenzenesulfonamide (PubChem CID 113018806) has the molecular formula C19H18ClN3O2S and a molecular weight of 387.89 g/mol. Its IUPAC name is N-[6-(5-chloro-2-methylanilino)-3-pyridinyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[6-(5-chloro-2-methylanilino)-3-pyridinyl]-4-methylbenzenesulfonamide
PubChem CID113018806
Molecular FormulaC19H18ClN3O2S
Molecular Weight387.89 g/mol
Exact Mass387.08
IUPAC NameN-[6-(5-chloro-2-methylanilino)-3-pyridinyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(Nc3cc(Cl)ccc3C)nc2)cc1
InChIInChI=1S/C19H18ClN3O2S/c1-13-3-8-17(9-4-13)26(24,25)23-16-7-10-19(21-12-16)22-18-11-15(20)6-5-14(18)2/h3-12,23H,1-2H3,(H,21,22)
InChIKeyCUKIFPCTJICVDX-UHFFFAOYSA-N
XLogP4.90
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.89
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-[6-(2-methylanilino)-3-pyridinyl]benzenesulfonamide
CID 113016153
N-[6-(2-chloroanilino)-3-pyridinyl]-4-methylbenzenesulfonamide
CID 113018469
4-methyl-N-[6-(2,4,6-trimethylanilino)-3-pyridinyl]benzenesulfonamide
CID 113017941
N-[6-(4-chloroanilino)-3-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide
CID 113018657
N-[6-(2,5-dimethylanilino)-3-pyridinyl]-1,3-benzodioxole-5-sulfonamide
CID 113016930
N-[6-(2-methylanilino)-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide
CID 113016162
N-[6-(2-methoxy-5-methylanilino)-3-pyridinyl]-3,4-dimethylbenzenesulfonamide
CID 113019808
N-[6-(3,4-difluoroanilino)-3-pyridinyl]-3,4-dimethylbenzenesulfonamide
CID 113023268
3-chloro-N-[6-(3-methylanilino)-3-pyridinyl]benzenesulfonamide
CID 113016313
4-fluoro-3-methyl-N-[6-(2,4,6-trimethylanilino)-3-pyridinyl]benzenesulfonamide
CID 113017944
2-chloro-N-[4-[(5-chloro-2-methylphenyl)sulfamoyl]phenyl]-5-[(4-methylphenyl)sulfonylamino]benzamide
CID 43909818
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzenesulfonamide
CID 3719852

Frequently Asked Questions

What is the IUPAC name of N-[6-(5-chloro-2-methylanilino)-3-pyridinyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[6-(5-chloro-2-methylanilino)-3-pyridinyl]-4-methylbenzenesulfonamide (CID 113018806) is N-[6-(5-chloro-2-methylanilino)-3-pyridinyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[6-(5-chloro-2-methylanilino)-3-pyridinyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[6-(5-chloro-2-methylanilino)-3-pyridinyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(Nc3cc(Cl)ccc3C)nc2)cc1.
What is the InChIKey of N-[6-(5-chloro-2-methylanilino)-3-pyridinyl]-4-methylbenzenesulfonamide?
The InChIKey is CUKIFPCTJICVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2S/c1-13-3-8-17(9-4-13)26(24,25)23-16-7-10-19(21-12-16)22-18-11-15(20)6-5-14(18)2/h3-12,23H,1-2H3,(H,21,22).
What are the key properties of N-[6-(5-chloro-2-methylanilino)-3-pyridinyl]-4-methylbenzenesulfonamide?
N-[6-(5-chloro-2-methylanilino)-3-pyridinyl]-4-methylbenzenesulfonamide has a molecular weight of 387.89 g/mol, XLogP of 4.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(5-chloro-2-methylanilino)-3-pyridinyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 113018806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).