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

C12H8Cl2N2O3S — CID 43110736

IUPAC3-chloro-4-(pyridine-4-carbonylamino)benzenesulfonyl chloride
SMILESO=C(Nc1ccc(S(=O)(=O)Cl)cc1Cl)c1ccncc1
InChIInChI=1S/C12H8Cl2N2O3S/c13-10-7-9(20(14,18)19)1-2-11(10)16-12(17)8-3-5-15-6-4-8/h1-7H,(H,16,17)
InChIKeyZJDIASWPVPDYOZ-UHFFFAOYSA-N
MW331.18 g/mol
LogP2.91
Rot. Bonds3

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

3-chloro-4-(pyridine-4-carbonylamino)benzenesulfonyl chloride (PubChem CID 43110736) has the molecular formula C12H8Cl2N2O3S and a molecular weight of 331.18 g/mol. Its IUPAC name is 3-chloro-4-(pyridine-4-carbonylamino)benzenesulfonyl chloride.

Molecular Properties

Compound Name3-chloro-4-(pyridine-4-carbonylamino)benzenesulfonyl chloride
PubChem CID43110736
Molecular FormulaC12H8Cl2N2O3S
Molecular Weight331.18 g/mol
Exact Mass329.96
IUPAC Name3-chloro-4-(pyridine-4-carbonylamino)benzenesulfonyl chloride
SMILESO=C(Nc1ccc(S(=O)(=O)Cl)cc1Cl)c1ccncc1
InChIInChI=1S/C12H8Cl2N2O3S/c13-10-7-9(20(14,18)19)1-2-11(10)16-12(17)8-3-5-15-6-4-8/h1-7H,(H,16,17)
InChIKeyZJDIASWPVPDYOZ-UHFFFAOYSA-N
XLogP2.91
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.18
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-5-methyl-4-(pyridine-4-carbonylamino)benzenesulfonyl chloride
CID 66262671
3-chloro-4-(1H-pyrazole-5-carbonylamino)benzenesulfonyl chloride
CID 63086291
3-chloro-4-[(2-methylpyrazole-3-carbonyl)amino]benzenesulfonyl chloride
CID 62920806
N-(2,4,5-trichlorophenyl)pyridine-4-carboxamide
CID 4098506
4-chloro-N-(2-chloro-4-sulfamoylphenyl)benzamide
CID 43134088
N-(2-chlorophenyl)pyridine-4-carboxamide;hydrochloride
CID 110756414
N-[2-chloro-5-(diethylsulfamoyl)phenyl]pyridine-4-carboxamide
CID 2963512
N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)pyridine-4-carboxamide
CID 4651643
3-chloro-4-(pyridin-3-ylcarbamoylamino)benzenesulfonyl chloride;sulfuric acid
CID 45156234
N-(4,5-dichloro-2-fluorophenyl)pyridine-4-carboxamide
CID 100692060
4-chloro-3-(pyridine-4-carbonylamino)benzoic acid
CID 24688561
4-[(5-fluoropyridine-3-carbonyl)amino]-3-methylbenzenesulfonyl chloride
CID 104785746

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(pyridine-4-carbonylamino)benzenesulfonyl chloride?
The IUPAC name of 3-chloro-4-(pyridine-4-carbonylamino)benzenesulfonyl chloride (CID 43110736) is 3-chloro-4-(pyridine-4-carbonylamino)benzenesulfonyl chloride.
What is the SMILES notation for 3-chloro-4-(pyridine-4-carbonylamino)benzenesulfonyl chloride?
The canonical SMILES for 3-chloro-4-(pyridine-4-carbonylamino)benzenesulfonyl chloride is O=C(Nc1ccc(S(=O)(=O)Cl)cc1Cl)c1ccncc1.
What is the InChIKey of 3-chloro-4-(pyridine-4-carbonylamino)benzenesulfonyl chloride?
The InChIKey is ZJDIASWPVPDYOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2N2O3S/c13-10-7-9(20(14,18)19)1-2-11(10)16-12(17)8-3-5-15-6-4-8/h1-7H,(H,16,17).
What are the key properties of 3-chloro-4-(pyridine-4-carbonylamino)benzenesulfonyl chloride?
3-chloro-4-(pyridine-4-carbonylamino)benzenesulfonyl chloride has a molecular weight of 331.18 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(pyridine-4-carbonylamino)benzenesulfonyl chloride is sourced from PubChem (CID 43110736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).