3-chloro-4-[(2-methylpyrazole-3-carbonyl)amino]benzenesulfonyl chloride

C11H9Cl2N3O3S — CID 62920806

IUPAC3-chloro-4-[(2-methylpyrazole-3-carbonyl)amino]benzenesulfonyl chloride
SMILESCn1nccc1C(=O)Nc1ccc(S(=O)(=O)Cl)cc1Cl
InChIInChI=1S/C11H9Cl2N3O3S/c1-16-10(4-5-14-16)11(17)15-9-3-2-7(6-8(9)12)20(13,18)19/h2-6H,1H3,(H,15,17)
InChIKeyMKVNWPDGJZFLSB-UHFFFAOYSA-N
MW334.18 g/mol
LogP2.25
Rot. Bonds3

About 3-chloro-4-[(2-methylpyrazole-3-carbonyl)amino]benzenesulfonyl chloride

3-chloro-4-[(2-methylpyrazole-3-carbonyl)amino]benzenesulfonyl chloride (PubChem CID 62920806) has the molecular formula C11H9Cl2N3O3S and a molecular weight of 334.18 g/mol. Its IUPAC name is 3-chloro-4-[(2-methylpyrazole-3-carbonyl)amino]benzenesulfonyl chloride.

Molecular Properties

Compound Name3-chloro-4-[(2-methylpyrazole-3-carbonyl)amino]benzenesulfonyl chloride
PubChem CID62920806
Molecular FormulaC11H9Cl2N3O3S
Molecular Weight334.18 g/mol
Exact Mass332.97
IUPAC Name3-chloro-4-[(2-methylpyrazole-3-carbonyl)amino]benzenesulfonyl chloride
SMILESCn1nccc1C(=O)Nc1ccc(S(=O)(=O)Cl)cc1Cl
InChIInChI=1S/C11H9Cl2N3O3S/c1-16-10(4-5-14-16)11(17)15-9-3-2-7(6-8(9)12)20(13,18)19/h2-6H,1H3,(H,15,17)
InChIKeyMKVNWPDGJZFLSB-UHFFFAOYSA-N
XLogP2.25
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.18
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-chloro-5-sulfamoylphenyl)-2-methylpyrazole-3-carboxamide
CID 61131082
3-chloro-4-(pyridine-4-carbonylamino)benzenesulfonyl chloride
CID 43110736
3,5-difluoro-4-[(2-methylpyrazole-3-carbonyl)amino]benzenesulfonyl chloride
CID 62921141
N-(2-bromo-4-sulfamoylphenyl)-2-methylpyrazole-3-carboxamide
CID 61129736
3-chloro-4-(1H-pyrazole-5-carbonylamino)benzenesulfonyl chloride
CID 63086291
N-(2-fluoro-4-sulfamoylphenyl)-2-methylpyrazole-3-carboxamide
CID 61129598
N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-methylpyrazole-3-carboxamide
CID 19475773
4-[(1,5-dimethylpyrazole-4-carbonyl)amino]-3-methylbenzenesulfonyl chloride
CID 43098424
N-(2,4-dibromophenyl)-2-methylpyrazole-3-carboxamide
CID 47083946
N-(3-chloro-4-fluorophenyl)-2-methylpyrazole-3-carboxamide
CID 6465834
N-(2-benzoyl-4-chlorophenyl)-2-methylpyrazole-3-carboxamide
CID 19475558
4-amino-2-[(2-methylpyrazole-3-carbonyl)amino]benzoic acid
CID 55178289

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[(2-methylpyrazole-3-carbonyl)amino]benzenesulfonyl chloride?
The IUPAC name of 3-chloro-4-[(2-methylpyrazole-3-carbonyl)amino]benzenesulfonyl chloride (CID 62920806) is 3-chloro-4-[(2-methylpyrazole-3-carbonyl)amino]benzenesulfonyl chloride.
What is the SMILES notation for 3-chloro-4-[(2-methylpyrazole-3-carbonyl)amino]benzenesulfonyl chloride?
The canonical SMILES for 3-chloro-4-[(2-methylpyrazole-3-carbonyl)amino]benzenesulfonyl chloride is Cn1nccc1C(=O)Nc1ccc(S(=O)(=O)Cl)cc1Cl.
What is the InChIKey of 3-chloro-4-[(2-methylpyrazole-3-carbonyl)amino]benzenesulfonyl chloride?
The InChIKey is MKVNWPDGJZFLSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2N3O3S/c1-16-10(4-5-14-16)11(17)15-9-3-2-7(6-8(9)12)20(13,18)19/h2-6H,1H3,(H,15,17).
What are the key properties of 3-chloro-4-[(2-methylpyrazole-3-carbonyl)amino]benzenesulfonyl chloride?
3-chloro-4-[(2-methylpyrazole-3-carbonyl)amino]benzenesulfonyl chloride has a molecular weight of 334.18 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[(2-methylpyrazole-3-carbonyl)amino]benzenesulfonyl chloride is sourced from PubChem (CID 62920806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).