N-[6-(3-chloroanilino)-3-pyridinyl]-2,4-dimethylbenzenesulfonamide

C19H18ClN3O2S — CID 113018565

IUPACN-[6-(3-chloroanilino)-3-pyridinyl]-2,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(Nc3cccc(Cl)c3)nc2)c(C)c1
InChIInChI=1S/C19H18ClN3O2S/c1-13-6-8-18(14(2)10-13)26(24,25)23-17-7-9-19(21-12-17)22-16-5-3-4-15(20)11-16/h3-12,23H,1-2H3,(H,21,22)
InChIKeyKTAMGULPSSVGFC-UHFFFAOYSA-N
MW387.89 g/mol
LogP4.90
Rot. Bonds5

About N-[6-(3-chloroanilino)-3-pyridinyl]-2,4-dimethylbenzenesulfonamide

N-[6-(3-chloroanilino)-3-pyridinyl]-2,4-dimethylbenzenesulfonamide (PubChem CID 113018565) has the molecular formula C19H18ClN3O2S and a molecular weight of 387.89 g/mol. Its IUPAC name is N-[6-(3-chloroanilino)-3-pyridinyl]-2,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[6-(3-chloroanilino)-3-pyridinyl]-2,4-dimethylbenzenesulfonamide
PubChem CID113018565
Molecular FormulaC19H18ClN3O2S
Molecular Weight387.89 g/mol
Exact Mass387.08
IUPAC NameN-[6-(3-chloroanilino)-3-pyridinyl]-2,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(Nc3cccc(Cl)c3)nc2)c(C)c1
InChIInChI=1S/C19H18ClN3O2S/c1-13-6-8-18(14(2)10-13)26(24,25)23-17-7-9-19(21-12-17)22-16-5-3-4-15(20)11-16/h3-12,23H,1-2H3,(H,21,22)
InChIKeyKTAMGULPSSVGFC-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

3-chloro-N-[6-(3-methylanilino)-3-pyridinyl]benzenesulfonamide
CID 113016313
2-methyl-N-[6-(3-methylanilino)-3-pyridinyl]benzenesulfonamide
CID 113016312
N-[6-[4-(dimethylamino)anilino]-3-pyridinyl]-2,4-dimethylbenzenesulfonamide
CID 113020920
2,4,6-trimethyl-N-[6-(3-methylanilino)-3-pyridinyl]benzenesulfonamide
CID 113016284
N-[6-(3-chloroanilino)pyridazin-3-yl]-2,5-dimethylbenzenesulfonamide
CID 113047502
N-[6-(3-chloroanilino)-3-pyridinyl]propane-1-sulfonamide
CID 113018556
N-[5-(3-chloroanilino)-2-pyridinyl]-3,4-dimethylbenzenesulfonamide
CID 113033338
N-[6-(3-methylanilino)-3-pyridinyl]benzenesulfonamide
CID 113016273
N-[6-(3,4-difluoroanilino)-3-pyridinyl]-2-methylbenzenesulfonamide
CID 113023281
N-[6-(3-cyanoanilino)-3-pyridinyl]-4-methoxy-2-methylbenzenesulfonamide
CID 113022826
4-fluoro-N-[6-(3-methylanilino)-3-pyridinyl]benzenesulfonamide
CID 113016275
N-[6-[(2-fluorophenyl)methylamino]-3-pyridinyl]-2,4-dimethylbenzenesulfonamide
CID 113012075

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-chloroanilino)-3-pyridinyl]-2,4-dimethylbenzenesulfonamide?
The IUPAC name of N-[6-(3-chloroanilino)-3-pyridinyl]-2,4-dimethylbenzenesulfonamide (CID 113018565) is N-[6-(3-chloroanilino)-3-pyridinyl]-2,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[6-(3-chloroanilino)-3-pyridinyl]-2,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-[6-(3-chloroanilino)-3-pyridinyl]-2,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(Nc3cccc(Cl)c3)nc2)c(C)c1.
What is the InChIKey of N-[6-(3-chloroanilino)-3-pyridinyl]-2,4-dimethylbenzenesulfonamide?
The InChIKey is KTAMGULPSSVGFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2S/c1-13-6-8-18(14(2)10-13)26(24,25)23-17-7-9-19(21-12-17)22-16-5-3-4-15(20)11-16/h3-12,23H,1-2H3,(H,21,22).
What are the key properties of N-[6-(3-chloroanilino)-3-pyridinyl]-2,4-dimethylbenzenesulfonamide?
N-[6-(3-chloroanilino)-3-pyridinyl]-2,4-dimethylbenzenesulfonamide 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-(3-chloroanilino)-3-pyridinyl]-2,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 113018565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).