N-(2-chlorophenyl)sulfonyl-3-phenyl-3,4-dihydropyrazole-2-carboxamide

C16H14ClN3O3S — CID 23050850

IUPACN-(2-chlorophenyl)sulfonyl-3-phenyl-3,4-dihydropyrazole-2-carboxamide
SMILESO=C(NS(=O)(=O)c1ccccc1Cl)N1N=CCC1c1ccccc1
InChIInChI=1S/C16H14ClN3O3S/c17-13-8-4-5-9-15(13)24(22,23)19-16(21)20-14(10-11-18-20)12-6-2-1-3-7-12/h1-9,11,14H,10H2,(H,19,21)
InChIKeyNYEBEGRKZUIXTF-UHFFFAOYSA-N
MW363.83 g/mol
LogP3.17
Rot. Bonds3

About N-(2-chlorophenyl)sulfonyl-3-phenyl-3,4-dihydropyrazole-2-carboxamide

N-(2-chlorophenyl)sulfonyl-3-phenyl-3,4-dihydropyrazole-2-carboxamide (PubChem CID 23050850) has the molecular formula C16H14ClN3O3S and a molecular weight of 363.83 g/mol. Its IUPAC name is N-(2-chlorophenyl)sulfonyl-3-phenyl-3,4-dihydropyrazole-2-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)sulfonyl-3-phenyl-3,4-dihydropyrazole-2-carboxamide
PubChem CID23050850
Molecular FormulaC16H14ClN3O3S
Molecular Weight363.83 g/mol
Exact Mass363.04
IUPAC NameN-(2-chlorophenyl)sulfonyl-3-phenyl-3,4-dihydropyrazole-2-carboxamide
SMILESO=C(NS(=O)(=O)c1ccccc1Cl)N1N=CCC1c1ccccc1
InChIInChI=1S/C16H14ClN3O3S/c17-13-8-4-5-9-15(13)24(22,23)19-16(21)20-14(10-11-18-20)12-6-2-1-3-7-12/h1-9,11,14H,10H2,(H,19,21)
InChIKeyNYEBEGRKZUIXTF-UHFFFAOYSA-N
XLogP3.17
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.83
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chlorophenyl)sulfonyl-3-phenyl-3,4-dihydropyrazole-2-carboxamide
CID 23050901
CID 131869061
CID 131869061
2,2-dimethyl-1-(3-phenyl-3,4-dihydropyrazol-2-yl)propan-1-one
CID 122703691
1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone
CID 167538208
(3R)-N-naphthalen-1-yl-3-phenyl-3,4-dihydropyrazole-2-carboxamide
CID 929511
N-ethyl-4-(3-phenyl-3,4-dihydropyrazole-2-carbonyl)piperidine-1-carboxamide
CID 122703629
2-(4-methylpiperazin-1-yl)-1-(3-phenyl-3,4-dihydropyrazol-2-yl)ethanone
CID 69478677
1-(2-chlorophenyl)-3-(2-chlorophenyl)sulfonylurea
CID 744684
N-(2,3-dichlorophenyl)sulfonyl-4-ethyl-3,4-dihydropyrazole-2-carboxamide
CID 23050829
(3-phenyl-3,4-dihydropyrazol-2-yl)-[3-(1-phenylethylidene)azetidin-1-yl]methanone
CID 150480580
1-(2-chlorophenyl)sulfonyl-3-(dimethylamino)urea
CID 6610584
(Z)-N-(2-chlorophenyl)sulfonyl-2-(propan-2-ylideneamino)but-2-enamide
CID 142342265

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)sulfonyl-3-phenyl-3,4-dihydropyrazole-2-carboxamide?
The IUPAC name of N-(2-chlorophenyl)sulfonyl-3-phenyl-3,4-dihydropyrazole-2-carboxamide (CID 23050850) is N-(2-chlorophenyl)sulfonyl-3-phenyl-3,4-dihydropyrazole-2-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)sulfonyl-3-phenyl-3,4-dihydropyrazole-2-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)sulfonyl-3-phenyl-3,4-dihydropyrazole-2-carboxamide is O=C(NS(=O)(=O)c1ccccc1Cl)N1N=CCC1c1ccccc1.
What is the InChIKey of N-(2-chlorophenyl)sulfonyl-3-phenyl-3,4-dihydropyrazole-2-carboxamide?
The InChIKey is NYEBEGRKZUIXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O3S/c17-13-8-4-5-9-15(13)24(22,23)19-16(21)20-14(10-11-18-20)12-6-2-1-3-7-12/h1-9,11,14H,10H2,(H,19,21).
What are the key properties of N-(2-chlorophenyl)sulfonyl-3-phenyl-3,4-dihydropyrazole-2-carboxamide?
N-(2-chlorophenyl)sulfonyl-3-phenyl-3,4-dihydropyrazole-2-carboxamide has a molecular weight of 363.83 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)sulfonyl-3-phenyl-3,4-dihydropyrazole-2-carboxamide is sourced from PubChem (CID 23050850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).