3,5-dichloro-2-methyl-4-(1H-pyrazole-4-carbonylamino)benzenesulfonyl chloride

C11H8Cl3N3O3S — CID 63086300

IUPAC3,5-dichloro-2-methyl-4-(1H-pyrazole-4-carbonylamino)benzenesulfonyl chloride
SMILESCc1c(S(=O)(=O)Cl)cc(Cl)c(NC(=O)c2cn[nH]c2)c1Cl
InChIInChI=1S/C11H8Cl3N3O3S/c1-5-8(21(14,19)20)2-7(12)10(9(5)13)17-11(18)6-3-15-16-4-6/h2-4H,1H3,(H,15,16)(H,17,18)
InChIKeyYJEORECVAYROCG-UHFFFAOYSA-N
MW368.63 g/mol
LogP3.20
Rot. Bonds3

About 3,5-dichloro-2-methyl-4-(1H-pyrazole-4-carbonylamino)benzenesulfonyl chloride

3,5-dichloro-2-methyl-4-(1H-pyrazole-4-carbonylamino)benzenesulfonyl chloride (PubChem CID 63086300) has the molecular formula C11H8Cl3N3O3S and a molecular weight of 368.63 g/mol. Its IUPAC name is 3,5-dichloro-2-methyl-4-(1H-pyrazole-4-carbonylamino)benzenesulfonyl chloride.

Molecular Properties

Compound Name3,5-dichloro-2-methyl-4-(1H-pyrazole-4-carbonylamino)benzenesulfonyl chloride
PubChem CID63086300
Molecular FormulaC11H8Cl3N3O3S
Molecular Weight368.63 g/mol
Exact Mass366.94
IUPAC Name3,5-dichloro-2-methyl-4-(1H-pyrazole-4-carbonylamino)benzenesulfonyl chloride
SMILESCc1c(S(=O)(=O)Cl)cc(Cl)c(NC(=O)c2cn[nH]c2)c1Cl
InChIInChI=1S/C11H8Cl3N3O3S/c1-5-8(21(14,19)20)2-7(12)10(9(5)13)17-11(18)6-3-15-16-4-6/h2-4H,1H3,(H,15,16)(H,17,18)
InChIKeyYJEORECVAYROCG-UHFFFAOYSA-N
XLogP3.20
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.63
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-bromo-5-chloro-4-methylphenyl)-1H-pyrazole-4-carboxamide
CID 104724206
N-(4-chloro-2-methoxy-5-methylphenyl)-1H-pyrazole-4-carboxamide
CID 43532961
N-(2,5-dichlorophenyl)-1H-pyrazole-4-carboxamide
CID 43582385
N-(2-methyl-4-sulfamoylphenyl)-1H-pyrazole-4-carboxamide
CID 63080493
N-(2,6-difluoro-4-sulfamoylphenyl)-1H-pyrazole-4-carboxamide
CID 63078897
4-methyl-3-(1H-pyrazole-4-carbonylamino)benzoic acid
CID 43565594
N-(2-amino-6-bromo-4-methylphenyl)-1H-pyrazole-4-carboxamide
CID 116813556
N-(3-chloro-4-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 43532923
N-(3-chloro-2-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 43532988
2-methyl-3-(1H-pyrazole-4-carbonylamino)benzoic acid
CID 61259573
N-[2,6-di(propan-2-yl)phenyl]-1H-pyrazole-4-carboxamide
CID 110863414
3-chloro-5-methyl-4-(pyridine-4-carbonylamino)benzenesulfonyl chloride
CID 66262671

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-2-methyl-4-(1H-pyrazole-4-carbonylamino)benzenesulfonyl chloride?
The IUPAC name of 3,5-dichloro-2-methyl-4-(1H-pyrazole-4-carbonylamino)benzenesulfonyl chloride (CID 63086300) is 3,5-dichloro-2-methyl-4-(1H-pyrazole-4-carbonylamino)benzenesulfonyl chloride.
What is the SMILES notation for 3,5-dichloro-2-methyl-4-(1H-pyrazole-4-carbonylamino)benzenesulfonyl chloride?
The canonical SMILES for 3,5-dichloro-2-methyl-4-(1H-pyrazole-4-carbonylamino)benzenesulfonyl chloride is Cc1c(S(=O)(=O)Cl)cc(Cl)c(NC(=O)c2cn[nH]c2)c1Cl.
What is the InChIKey of 3,5-dichloro-2-methyl-4-(1H-pyrazole-4-carbonylamino)benzenesulfonyl chloride?
The InChIKey is YJEORECVAYROCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl3N3O3S/c1-5-8(21(14,19)20)2-7(12)10(9(5)13)17-11(18)6-3-15-16-4-6/h2-4H,1H3,(H,15,16)(H,17,18).
What are the key properties of 3,5-dichloro-2-methyl-4-(1H-pyrazole-4-carbonylamino)benzenesulfonyl chloride?
3,5-dichloro-2-methyl-4-(1H-pyrazole-4-carbonylamino)benzenesulfonyl chloride has a molecular weight of 368.63 g/mol, XLogP of 3.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-2-methyl-4-(1H-pyrazole-4-carbonylamino)benzenesulfonyl chloride is sourced from PubChem (CID 63086300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).