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

C13H14ClN3O2S — CID 113033646

IUPACN-[5-(3-chloro-4-methylanilino)-2-pyridinyl]methanesulfonamide
SMILESCc1ccc(Nc2ccc(NS(C)(=O)=O)nc2)cc1Cl
InChIInChI=1S/C13H14ClN3O2S/c1-9-3-4-10(7-12(9)14)16-11-5-6-13(15-8-11)17-20(2,18)19/h3-8,16H,1-2H3,(H,15,17)
InChIKeyPAFNSJDJOUJFIL-UHFFFAOYSA-N
MW311.79 g/mol
LogP3.16
Rot. Bonds4

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

N-[5-(3-chloro-4-methylanilino)-2-pyridinyl]methanesulfonamide (PubChem CID 113033646) has the molecular formula C13H14ClN3O2S and a molecular weight of 311.79 g/mol. Its IUPAC name is N-[5-(3-chloro-4-methylanilino)-2-pyridinyl]methanesulfonamide.

Molecular Properties

Compound NameN-[5-(3-chloro-4-methylanilino)-2-pyridinyl]methanesulfonamide
PubChem CID113033646
Molecular FormulaC13H14ClN3O2S
Molecular Weight311.79 g/mol
Exact Mass311.05
IUPAC NameN-[5-(3-chloro-4-methylanilino)-2-pyridinyl]methanesulfonamide
SMILESCc1ccc(Nc2ccc(NS(C)(=O)=O)nc2)cc1Cl
InChIInChI=1S/C13H14ClN3O2S/c1-9-3-4-10(7-12(9)14)16-11-5-6-13(15-8-11)17-20(2,18)19/h3-8,16H,1-2H3,(H,15,17)
InChIKeyPAFNSJDJOUJFIL-UHFFFAOYSA-N
XLogP3.16
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.79
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(3-chloro-4-methylanilino)-2-pyridinyl]butanamide
CID 113033607
N-[6-(3-chloro-4-methylanilino)-3-pyridinyl]butane-1-sulfonamide
CID 113018948
N-[6-(3-chloro-4-methylanilino)-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113018956
N-[5-(3,4-dimethylanilino)-2-pyridinyl]ethanesulfonamide
CID 113032137
N-[5-(3-chloro-4-methylanilino)-2-pyridinyl]-3-methylbutanamide
CID 113033611
N-[6-(3-chloro-4-methylanilino)-3-pyridinyl]thiophene-2-sulfonamide
CID 113018953
5-chloro-N-[5-(3,4-dimethylanilino)-2-pyridinyl]thiophene-2-sulfonamide
CID 113032155
N-[5-(3,4-dimethylanilino)-2-pyridinyl]benzenesulfonamide
CID 113032141
N-[5-(3-chloroanilino)-2-pyridinyl]-3,4-dimethylbenzenesulfonamide
CID 113033338
N-[5-(4-chloroanilino)-2-pyridinyl]-2,5-dimethylbenzenesulfonamide
CID 113033426
N-[5-[4-(4-methylpiperazin-1-yl)anilino]-2-pyridinyl]methanesulfonamide
CID 113035788
N-[6-(3,4-dimethylanilino)pyridazin-3-yl]methanesulfonamide
CID 113046385

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-chloro-4-methylanilino)-2-pyridinyl]methanesulfonamide?
The IUPAC name of N-[5-(3-chloro-4-methylanilino)-2-pyridinyl]methanesulfonamide (CID 113033646) is N-[5-(3-chloro-4-methylanilino)-2-pyridinyl]methanesulfonamide.
What is the SMILES notation for N-[5-(3-chloro-4-methylanilino)-2-pyridinyl]methanesulfonamide?
The canonical SMILES for N-[5-(3-chloro-4-methylanilino)-2-pyridinyl]methanesulfonamide is Cc1ccc(Nc2ccc(NS(C)(=O)=O)nc2)cc1Cl.
What is the InChIKey of N-[5-(3-chloro-4-methylanilino)-2-pyridinyl]methanesulfonamide?
The InChIKey is PAFNSJDJOUJFIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O2S/c1-9-3-4-10(7-12(9)14)16-11-5-6-13(15-8-11)17-20(2,18)19/h3-8,16H,1-2H3,(H,15,17).
What are the key properties of N-[5-(3-chloro-4-methylanilino)-2-pyridinyl]methanesulfonamide?
N-[5-(3-chloro-4-methylanilino)-2-pyridinyl]methanesulfonamide has a molecular weight of 311.79 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-chloro-4-methylanilino)-2-pyridinyl]methanesulfonamide is sourced from PubChem (CID 113033646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).