3-(4-chlorophenyl)-4-(2-sulfamoylphenyl)-1H-pyrazole-5-carboxamide

C16H13ClN4O3S — CID 67648774

IUPAC3-(4-chlorophenyl)-4-(2-sulfamoylphenyl)-1H-pyrazole-5-carboxamide
SMILESNC(=O)c1[nH]nc(-c2ccc(Cl)cc2)c1-c1ccccc1S(N)(=O)=O
InChIInChI=1S/C16H13ClN4O3S/c17-10-7-5-9(6-8-10)14-13(15(16(18)22)21-20-14)11-3-1-2-4-12(11)25(19,23)24/h1-8H,(H2,18,22)(H,20,21)(H2,19,23,24)
InChIKeyRJBDMGCDOSKVKN-UHFFFAOYSA-N
MW376.83 g/mol
LogP2.14
Rot. Bonds4

About 3-(4-chlorophenyl)-4-(2-sulfamoylphenyl)-1H-pyrazole-5-carboxamide

3-(4-chlorophenyl)-4-(2-sulfamoylphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 67648774) has the molecular formula C16H13ClN4O3S and a molecular weight of 376.83 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-4-(2-sulfamoylphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-4-(2-sulfamoylphenyl)-1H-pyrazole-5-carboxamide
PubChem CID67648774
Molecular FormulaC16H13ClN4O3S
Molecular Weight376.83 g/mol
Exact Mass376.04
IUPAC Name3-(4-chlorophenyl)-4-(2-sulfamoylphenyl)-1H-pyrazole-5-carboxamide
SMILESNC(=O)c1[nH]nc(-c2ccc(Cl)cc2)c1-c1ccccc1S(N)(=O)=O
InChIInChI=1S/C16H13ClN4O3S/c17-10-7-5-9(6-8-10)14-13(15(16(18)22)21-20-14)11-3-1-2-4-12(11)25(19,23)24/h1-8H,(H2,18,22)(H,20,21)(H2,19,23,24)
InChIKeyRJBDMGCDOSKVKN-UHFFFAOYSA-N
XLogP2.14
TPSA131.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.83
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N'-(2-fluorophenyl)sulfonyl-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 2405710
N'-(4-chlorophenyl)sulfonyl-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 4885252
3-(4-fluorophenyl)-4-(2-sulfamoylphenyl)-1H-pyrazole-5-carboxamide
CID 67664271
[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone
CID 26051761
N-(benzenesulfonyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 87011281
3-[[4-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]sulfamoyl]benzamide
CID 99793674
3-(4-fluorophenyl)-N-(2-phenylphenyl)sulfonyl-1H-pyrazole-5-carboxamide
CID 155969924
4-[5-(4-Chlorophenyl)-3-(hydrazinecarbonyl)pyrazol-1-yl]benzenesulfonamide
CID 166610848
4-(4-chlorophenyl)-N-(4-sulfamoylphenyl)-1H-pyrazole-5-carboxamide
CID 17816818
4-(4-chlorophenyl)-N,N-dimethyl-3-(4-sulfamoylphenyl)-1H-pyrazole-5-carboxamide
CID 19355201
4-(4-chlorophenyl)-N-phenyl-3-(4-sulfamoylphenyl)-1H-pyrazole-5-carboxamide
CID 19355248
4-(4-chlorophenyl)-3-(4-sulfamoylphenyl)-1H-pyrazole-5-carboxamide
CID 19355558

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-4-(2-sulfamoylphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)-4-(2-sulfamoylphenyl)-1H-pyrazole-5-carboxamide (CID 67648774) is 3-(4-chlorophenyl)-4-(2-sulfamoylphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)-4-(2-sulfamoylphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)-4-(2-sulfamoylphenyl)-1H-pyrazole-5-carboxamide is NC(=O)c1[nH]nc(-c2ccc(Cl)cc2)c1-c1ccccc1S(N)(=O)=O.
What is the InChIKey of 3-(4-chlorophenyl)-4-(2-sulfamoylphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is RJBDMGCDOSKVKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4O3S/c17-10-7-5-9(6-8-10)14-13(15(16(18)22)21-20-14)11-3-1-2-4-12(11)25(19,23)24/h1-8H,(H2,18,22)(H,20,21)(H2,19,23,24).
What are the key properties of 3-(4-chlorophenyl)-4-(2-sulfamoylphenyl)-1H-pyrazole-5-carboxamide?
3-(4-chlorophenyl)-4-(2-sulfamoylphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 376.83 g/mol, XLogP of 2.14, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-4-(2-sulfamoylphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 67648774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).