N-[5-(3-chloroanilino)-2-pyridinyl]-3,4-dimethylbenzenesulfonamide

C19H18ClN3O2S — CID 113033338

IUPACN-[5-(3-chloroanilino)-2-pyridinyl]-3,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(Nc3cccc(Cl)c3)cn2)cc1C
InChIInChI=1S/C19H18ClN3O2S/c1-13-6-8-18(10-14(13)2)26(24,25)23-19-9-7-17(12-21-19)22-16-5-3-4-15(20)11-16/h3-12,22H,1-2H3,(H,21,23)
InChIKeyACPOJJSBVCPVGD-UHFFFAOYSA-N
MW387.89 g/mol
LogP4.90
Rot. Bonds5

About N-[5-(3-chloroanilino)-2-pyridinyl]-3,4-dimethylbenzenesulfonamide

N-[5-(3-chloroanilino)-2-pyridinyl]-3,4-dimethylbenzenesulfonamide (PubChem CID 113033338) has the molecular formula C19H18ClN3O2S and a molecular weight of 387.89 g/mol. Its IUPAC name is N-[5-(3-chloroanilino)-2-pyridinyl]-3,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[5-(3-chloroanilino)-2-pyridinyl]-3,4-dimethylbenzenesulfonamide
PubChem CID113033338
Molecular FormulaC19H18ClN3O2S
Molecular Weight387.89 g/mol
Exact Mass387.08
IUPAC NameN-[5-(3-chloroanilino)-2-pyridinyl]-3,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(Nc3cccc(Cl)c3)cn2)cc1C
InChIInChI=1S/C19H18ClN3O2S/c1-13-6-8-18(10-14(13)2)26(24,25)23-19-9-7-17(12-21-19)22-16-5-3-4-15(20)11-16/h3-12,22H,1-2H3,(H,21,23)
InChIKeyACPOJJSBVCPVGD-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

N-[5-(3,4-dimethylanilino)-2-pyridinyl]benzenesulfonamide
CID 113032141
3-chloro-N-[6-(3-methylanilino)-3-pyridinyl]benzenesulfonamide
CID 113016313
3-chloro-N-[5-(4-cyanoanilino)-2-pyridinyl]benzenesulfonamide
CID 113037344
N-[5-(2,6-dimethylanilino)-2-pyridinyl]-4-methoxy-3-methylbenzenesulfonamide
CID 113032298
5-chloro-N-[5-(3,4-dimethylanilino)-2-pyridinyl]thiophene-2-sulfonamide
CID 113032155
N-[6-(3,4-difluoroanilino)-3-pyridinyl]-3,4-dimethylbenzenesulfonamide
CID 113023268
N-[5-(3,5-dimethylanilino)-2-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide
CID 113032221
N-[6-(3-chloroanilino)-3-pyridinyl]-2,4-dimethylbenzenesulfonamide
CID 113018565
N-[5-(3,5-dimethylanilino)-2-pyridinyl]-4-methoxy-3-methylbenzenesulfonamide
CID 113032223
4-chloro-N-[5-(4-cyanoanilino)-2-pyridinyl]-3-methylbenzenesulfonamide
CID 113037337
N-(5-anilino-2-pyridinyl)-3,4-dimethoxybenzenesulfonamide
CID 113031264
N-[5-(4-chloroanilino)-2-pyridinyl]-2,5-dimethylbenzenesulfonamide
CID 113033426

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-chloroanilino)-2-pyridinyl]-3,4-dimethylbenzenesulfonamide?
The IUPAC name of N-[5-(3-chloroanilino)-2-pyridinyl]-3,4-dimethylbenzenesulfonamide (CID 113033338) is N-[5-(3-chloroanilino)-2-pyridinyl]-3,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[5-(3-chloroanilino)-2-pyridinyl]-3,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-[5-(3-chloroanilino)-2-pyridinyl]-3,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(Nc3cccc(Cl)c3)cn2)cc1C.
What is the InChIKey of N-[5-(3-chloroanilino)-2-pyridinyl]-3,4-dimethylbenzenesulfonamide?
The InChIKey is ACPOJJSBVCPVGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2S/c1-13-6-8-18(10-14(13)2)26(24,25)23-19-9-7-17(12-21-19)22-16-5-3-4-15(20)11-16/h3-12,22H,1-2H3,(H,21,23).
What are the key properties of N-[5-(3-chloroanilino)-2-pyridinyl]-3,4-dimethylbenzenesulfonamide?
N-[5-(3-chloroanilino)-2-pyridinyl]-3,4-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-[5-(3-chloroanilino)-2-pyridinyl]-3,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 113033338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).