3-chloro-N-[6-(3-methylanilino)-3-pyridinyl]benzenesulfonamide

C18H16ClN3O2S — CID 113016313

IUPAC3-chloro-N-[6-(3-methylanilino)-3-pyridinyl]benzenesulfonamide
SMILESCc1cccc(Nc2ccc(NS(=O)(=O)c3cccc(Cl)c3)cn2)c1
InChIInChI=1S/C18H16ClN3O2S/c1-13-4-2-6-15(10-13)21-18-9-8-16(12-20-18)22-25(23,24)17-7-3-5-14(19)11-17/h2-12,22H,1H3,(H,20,21)
InChIKeyLTFDAVHHFCCGNG-UHFFFAOYSA-N
MW373.87 g/mol
LogP4.59
Rot. Bonds5

About 3-chloro-N-[6-(3-methylanilino)-3-pyridinyl]benzenesulfonamide

3-chloro-N-[6-(3-methylanilino)-3-pyridinyl]benzenesulfonamide (PubChem CID 113016313) has the molecular formula C18H16ClN3O2S and a molecular weight of 373.87 g/mol. Its IUPAC name is 3-chloro-N-[6-(3-methylanilino)-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[6-(3-methylanilino)-3-pyridinyl]benzenesulfonamide
PubChem CID113016313
Molecular FormulaC18H16ClN3O2S
Molecular Weight373.87 g/mol
Exact Mass373.07
IUPAC Name3-chloro-N-[6-(3-methylanilino)-3-pyridinyl]benzenesulfonamide
SMILESCc1cccc(Nc2ccc(NS(=O)(=O)c3cccc(Cl)c3)cn2)c1
InChIInChI=1S/C18H16ClN3O2S/c1-13-4-2-6-15(10-13)21-18-9-8-16(12-20-18)22-25(23,24)17-7-3-5-14(19)11-17/h2-12,22H,1H3,(H,20,21)
InChIKeyLTFDAVHHFCCGNG-UHFFFAOYSA-N
XLogP4.59
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.87
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(3-methylanilino)-3-pyridinyl]benzenesulfonamide
CID 113016273
4-fluoro-N-[6-(3-methylanilino)-3-pyridinyl]benzenesulfonamide
CID 113016275
N-[6-(3-chloroanilino)-3-pyridinyl]-2,4-dimethylbenzenesulfonamide
CID 113018565
N-[6-(4-tert-butylanilino)-3-pyridinyl]-3-methylbenzenesulfonamide
CID 113018175
2,4,6-trimethyl-N-[6-(3-methylanilino)-3-pyridinyl]benzenesulfonamide
CID 113016284
N-[6-(3-methylanilino)-3-pyridinyl]-1,3-benzodioxole-5-sulfonamide
CID 113016293
2-methyl-N-[6-(3-methylanilino)-3-pyridinyl]benzenesulfonamide
CID 113016312
3-chloro-N-[6-(3,5-dimethylanilino)pyridazin-3-yl]benzenesulfonamide
CID 113046483
N-[5-(3-chloroanilino)-2-pyridinyl]-3,4-dimethylbenzenesulfonamide
CID 113033338
N-[6-(3-chloroanilino)-3-pyridinyl]propane-1-sulfonamide
CID 113018556
3-methyl-N-[4-(3-methylanilino)phenyl]benzenesulfonamide
CID 112986000
N-[6-(4-chloroanilino)-3-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide
CID 113018657

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[6-(3-methylanilino)-3-pyridinyl]benzenesulfonamide?
The IUPAC name of 3-chloro-N-[6-(3-methylanilino)-3-pyridinyl]benzenesulfonamide (CID 113016313) is 3-chloro-N-[6-(3-methylanilino)-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[6-(3-methylanilino)-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-N-[6-(3-methylanilino)-3-pyridinyl]benzenesulfonamide is Cc1cccc(Nc2ccc(NS(=O)(=O)c3cccc(Cl)c3)cn2)c1.
What is the InChIKey of 3-chloro-N-[6-(3-methylanilino)-3-pyridinyl]benzenesulfonamide?
The InChIKey is LTFDAVHHFCCGNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O2S/c1-13-4-2-6-15(10-13)21-18-9-8-16(12-20-18)22-25(23,24)17-7-3-5-14(19)11-17/h2-12,22H,1H3,(H,20,21).
What are the key properties of 3-chloro-N-[6-(3-methylanilino)-3-pyridinyl]benzenesulfonamide?
3-chloro-N-[6-(3-methylanilino)-3-pyridinyl]benzenesulfonamide has a molecular weight of 373.87 g/mol, XLogP of 4.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[6-(3-methylanilino)-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 113016313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).