N-[6-(4-chloro-2,5-dimethoxyanilino)-3-pyridinyl]methanesulfonamide

C14H16ClN3O4S — CID 113022491

IUPACN-[6-(4-chloro-2,5-dimethoxyanilino)-3-pyridinyl]methanesulfonamide
SMILESCOc1cc(Nc2ccc(NS(C)(=O)=O)cn2)c(OC)cc1Cl
InChIInChI=1S/C14H16ClN3O4S/c1-21-12-7-11(13(22-2)6-10(12)15)17-14-5-4-9(8-16-14)18-23(3,19)20/h4-8,18H,1-3H3,(H,16,17)
InChIKeyXZHPOSSDCIGULE-UHFFFAOYSA-N
MW357.82 g/mol
LogP2.87
Rot. Bonds6

About N-[6-(4-chloro-2,5-dimethoxyanilino)-3-pyridinyl]methanesulfonamide

N-[6-(4-chloro-2,5-dimethoxyanilino)-3-pyridinyl]methanesulfonamide (PubChem CID 113022491) has the molecular formula C14H16ClN3O4S and a molecular weight of 357.82 g/mol. Its IUPAC name is N-[6-(4-chloro-2,5-dimethoxyanilino)-3-pyridinyl]methanesulfonamide.

Molecular Properties

Compound NameN-[6-(4-chloro-2,5-dimethoxyanilino)-3-pyridinyl]methanesulfonamide
PubChem CID113022491
Molecular FormulaC14H16ClN3O4S
Molecular Weight357.82 g/mol
Exact Mass357.06
IUPAC NameN-[6-(4-chloro-2,5-dimethoxyanilino)-3-pyridinyl]methanesulfonamide
SMILESCOc1cc(Nc2ccc(NS(C)(=O)=O)cn2)c(OC)cc1Cl
InChIInChI=1S/C14H16ClN3O4S/c1-21-12-7-11(13(22-2)6-10(12)15)17-14-5-4-9(8-16-14)18-23(3,19)20/h4-8,18H,1-3H3,(H,16,17)
InChIKeyXZHPOSSDCIGULE-UHFFFAOYSA-N
XLogP2.87
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.82
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-(4-chloro-2,5-dimethoxyanilino)-3-pyridinyl]acetamide
CID 113022464
1-[6-(4-chloro-2,5-dimethoxyanilino)-3-pyridinyl]-3-phenylurea
CID 113022483
N-[6-(4-chloro-2,5-dimethoxyanilino)-3-pyridinyl]cyclohexanecarboxamide
CID 113022471
N-[5-(4-chloro-2,5-dimethoxyanilino)-2-pyridinyl]cyclopropanecarboxamide
CID 113036885
N-[6-(3-chloro-4-methoxyanilino)-3-pyridinyl]ethanesulfonamide
CID 113019129
5-bromo-N-(5-chloro-2,4-dimethoxyphenyl)pyridin-2-amine
CID 61373201
4-N-(4-chloro-2,5-dimethoxyphenyl)-6-N-(4-fluorophenyl)pyrimidine-4,6-diamine
CID 112865727
6-chloro-N-(4-chloro-2,5-dimethoxyphenyl)pyridazin-3-amine
CID 43329630
azepan-1-yl-[6-(4-chloro-2,5-dimethoxyanilino)-3-pyridinyl]methanone
CID 109162064
ethyl N-[6-(4-chloro-2-methoxy-5-methylanilino)-3-pyridinyl]carbamate
CID 113022533
N-[6-(2,5-dimethoxyanilino)-3-pyridinyl]propane-1-sulfonamide
CID 113020002
N-[6-(2,4-dimethoxyanilino)-3-pyridinyl]propane-1-sulfonamide
CID 113020065

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-chloro-2,5-dimethoxyanilino)-3-pyridinyl]methanesulfonamide?
The IUPAC name of N-[6-(4-chloro-2,5-dimethoxyanilino)-3-pyridinyl]methanesulfonamide (CID 113022491) is N-[6-(4-chloro-2,5-dimethoxyanilino)-3-pyridinyl]methanesulfonamide.
What is the SMILES notation for N-[6-(4-chloro-2,5-dimethoxyanilino)-3-pyridinyl]methanesulfonamide?
The canonical SMILES for N-[6-(4-chloro-2,5-dimethoxyanilino)-3-pyridinyl]methanesulfonamide is COc1cc(Nc2ccc(NS(C)(=O)=O)cn2)c(OC)cc1Cl.
What is the InChIKey of N-[6-(4-chloro-2,5-dimethoxyanilino)-3-pyridinyl]methanesulfonamide?
The InChIKey is XZHPOSSDCIGULE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O4S/c1-21-12-7-11(13(22-2)6-10(12)15)17-14-5-4-9(8-16-14)18-23(3,19)20/h4-8,18H,1-3H3,(H,16,17).
What are the key properties of N-[6-(4-chloro-2,5-dimethoxyanilino)-3-pyridinyl]methanesulfonamide?
N-[6-(4-chloro-2,5-dimethoxyanilino)-3-pyridinyl]methanesulfonamide has a molecular weight of 357.82 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-chloro-2,5-dimethoxyanilino)-3-pyridinyl]methanesulfonamide is sourced from PubChem (CID 113022491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).