3-chloro-5-methyl-4-(pyridine-4-carbonylamino)benzenesulfonyl chloride

C13H10Cl2N2O3S — CID 66262671

IUPAC3-chloro-5-methyl-4-(pyridine-4-carbonylamino)benzenesulfonyl chloride
SMILESCc1cc(S(=O)(=O)Cl)cc(Cl)c1NC(=O)c1ccncc1
InChIInChI=1S/C13H10Cl2N2O3S/c1-8-6-10(21(15,19)20)7-11(14)12(8)17-13(18)9-2-4-16-5-3-9/h2-7H,1H3,(H,17,18)
InChIKeyNZXHTJYPZJTZFM-UHFFFAOYSA-N
MW345.21 g/mol
LogP3.22
Rot. Bonds3

About 3-chloro-5-methyl-4-(pyridine-4-carbonylamino)benzenesulfonyl chloride

3-chloro-5-methyl-4-(pyridine-4-carbonylamino)benzenesulfonyl chloride (PubChem CID 66262671) has the molecular formula C13H10Cl2N2O3S and a molecular weight of 345.21 g/mol. Its IUPAC name is 3-chloro-5-methyl-4-(pyridine-4-carbonylamino)benzenesulfonyl chloride.

Molecular Properties

Compound Name3-chloro-5-methyl-4-(pyridine-4-carbonylamino)benzenesulfonyl chloride
PubChem CID66262671
Molecular FormulaC13H10Cl2N2O3S
Molecular Weight345.21 g/mol
Exact Mass343.98
IUPAC Name3-chloro-5-methyl-4-(pyridine-4-carbonylamino)benzenesulfonyl chloride
SMILESCc1cc(S(=O)(=O)Cl)cc(Cl)c1NC(=O)c1ccncc1
InChIInChI=1S/C13H10Cl2N2O3S/c1-8-6-10(21(15,19)20)7-11(14)12(8)17-13(18)9-2-4-16-5-3-9/h2-7H,1H3,(H,17,18)
InChIKeyNZXHTJYPZJTZFM-UHFFFAOYSA-N
XLogP3.22
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.21
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-4-(pyridine-4-carbonylamino)benzenesulfonyl chloride
CID 43110736
3,5-dimethyl-4-(pyridine-2-carbonylamino)benzenesulfonyl chloride
CID 43102261
N-(2-chloro-6-methyl-4-sulfamoylphenyl)pyridine-2-carboxamide
CID 66254800
3-chloro-5-methyl-4-[(2-methylcyclopentanecarbonyl)amino]benzenesulfonyl chloride
CID 107180023
N-(3-chloro-4-methylphenyl)pyridine-4-carboxamide;hydrochloride
CID 110756427
3-chloro-4-[(2,2-dimethylcyclopropanecarbonyl)amino]-5-methylbenzenesulfonyl chloride
CID 107002055
N-(2,6-dimethylphenyl)pyridine-4-carboxamide;hydrochloride
CID 110756385
N-[2,5-dimethyl-4-(pyridine-4-carbonylamino)phenyl]pyridine-4-carboxamide
CID 163197723
N-(2-bromo-5-chloro-4-methylphenyl)pyridine-4-carboxamide
CID 104723857
4-[(3-chloro-4-methylbenzoyl)amino]benzenesulfonyl chloride
CID 63195185
N-(2-chloro-4,6-dimethylphenyl)-2-(pyridin-4-ylmethylamino)pyrimidine-5-carboxamide
CID 109259314
3-N-(2-chloro-4,6-dimethylphenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,3-dicarboxamide
CID 109055218

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-methyl-4-(pyridine-4-carbonylamino)benzenesulfonyl chloride?
The IUPAC name of 3-chloro-5-methyl-4-(pyridine-4-carbonylamino)benzenesulfonyl chloride (CID 66262671) is 3-chloro-5-methyl-4-(pyridine-4-carbonylamino)benzenesulfonyl chloride.
What is the SMILES notation for 3-chloro-5-methyl-4-(pyridine-4-carbonylamino)benzenesulfonyl chloride?
The canonical SMILES for 3-chloro-5-methyl-4-(pyridine-4-carbonylamino)benzenesulfonyl chloride is Cc1cc(S(=O)(=O)Cl)cc(Cl)c1NC(=O)c1ccncc1.
What is the InChIKey of 3-chloro-5-methyl-4-(pyridine-4-carbonylamino)benzenesulfonyl chloride?
The InChIKey is NZXHTJYPZJTZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N2O3S/c1-8-6-10(21(15,19)20)7-11(14)12(8)17-13(18)9-2-4-16-5-3-9/h2-7H,1H3,(H,17,18).
What are the key properties of 3-chloro-5-methyl-4-(pyridine-4-carbonylamino)benzenesulfonyl chloride?
3-chloro-5-methyl-4-(pyridine-4-carbonylamino)benzenesulfonyl chloride has a molecular weight of 345.21 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-methyl-4-(pyridine-4-carbonylamino)benzenesulfonyl chloride is sourced from PubChem (CID 66262671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).