4-chloro-3-[phenyl(prop-2-enyl)sulfamoyl]-N-(1H-pyrazol-5-yl)benzamide

C19H17ClN4O3S — CID 52754440

IUPAC4-chloro-3-[phenyl(prop-2-enyl)sulfamoyl]-N-(1H-pyrazol-5-yl)benzamide
SMILESC=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2ccn[nH]2)ccc1Cl
InChIInChI=1S/C19H17ClN4O3S/c1-2-12-24(15-6-4-3-5-7-15)28(26,27)17-13-14(8-9-16(17)20)19(25)22-18-10-11-21-23-18/h2-11,13H,1,12H2,(H2,21,22,23,25)
InChIKeyUGERBCLQTBOYJL-UHFFFAOYSA-N
MW416.89 g/mol
LogP3.70
Rot. Bonds7

About 4-chloro-3-[phenyl(prop-2-enyl)sulfamoyl]-N-(1H-pyrazol-5-yl)benzamide

4-chloro-3-[phenyl(prop-2-enyl)sulfamoyl]-N-(1H-pyrazol-5-yl)benzamide (PubChem CID 52754440) has the molecular formula C19H17ClN4O3S and a molecular weight of 416.89 g/mol. Its IUPAC name is 4-chloro-3-[phenyl(prop-2-enyl)sulfamoyl]-N-(1H-pyrazol-5-yl)benzamide.

Molecular Properties

Compound Name4-chloro-3-[phenyl(prop-2-enyl)sulfamoyl]-N-(1H-pyrazol-5-yl)benzamide
PubChem CID52754440
Molecular FormulaC19H17ClN4O3S
Molecular Weight416.89 g/mol
Exact Mass416.07
IUPAC Name4-chloro-3-[phenyl(prop-2-enyl)sulfamoyl]-N-(1H-pyrazol-5-yl)benzamide
SMILESC=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2ccn[nH]2)ccc1Cl
InChIInChI=1S/C19H17ClN4O3S/c1-2-12-24(15-6-4-3-5-7-15)28(26,27)17-13-14(8-9-16(17)20)19(25)22-18-10-11-21-23-18/h2-11,13H,1,12H2,(H2,21,22,23,25)
InChIKeyUGERBCLQTBOYJL-UHFFFAOYSA-N
XLogP3.70
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.89
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-(2-chlorophenyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 26575051
4-chloro-N-(4-methyl-2-pyridinyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 35029142
5-(benzamidocarbamoyl)-2-chloro-N-phenyl-N-prop-2-enylbenzenesulfonamide
CID 26591753
N-(4-carbamoylphenyl)-4-chloro-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 26253060
2-chloro-N-phenyl-N-prop-2-enyl-5-[(pyridine-2-carbonylamino)carbamoyl]benzenesulfonamide
CID 26533725
4-chloro-3-[phenyl(prop-2-enyl)sulfamoyl]-N-propylbenzamide
CID 32736718
2-oxopropyl 4-chloro-3-[phenyl(prop-2-enyl)sulfamoyl]benzoate
CID 42970176
4-chloro-N-(oxolan-2-ylmethyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 4782416
4-chloro-3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]-N-(2,5-dimethylphenyl)benzamide
CID 2448420
4-chloro-N-[2-(4-methoxyphenyl)ethyl]-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 16552544
4-chloro-N-methyl-3-[phenyl(prop-2-enyl)sulfamoyl]-N-(1,3-thiazol-2-yl)benzamide
CID 55642713
4-chloro-3-[(4-fluorophenyl)-prop-2-enylsulfamoyl]-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 4851066

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[phenyl(prop-2-enyl)sulfamoyl]-N-(1H-pyrazol-5-yl)benzamide?
The IUPAC name of 4-chloro-3-[phenyl(prop-2-enyl)sulfamoyl]-N-(1H-pyrazol-5-yl)benzamide (CID 52754440) is 4-chloro-3-[phenyl(prop-2-enyl)sulfamoyl]-N-(1H-pyrazol-5-yl)benzamide.
What is the SMILES notation for 4-chloro-3-[phenyl(prop-2-enyl)sulfamoyl]-N-(1H-pyrazol-5-yl)benzamide?
The canonical SMILES for 4-chloro-3-[phenyl(prop-2-enyl)sulfamoyl]-N-(1H-pyrazol-5-yl)benzamide is C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2ccn[nH]2)ccc1Cl.
What is the InChIKey of 4-chloro-3-[phenyl(prop-2-enyl)sulfamoyl]-N-(1H-pyrazol-5-yl)benzamide?
The InChIKey is UGERBCLQTBOYJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O3S/c1-2-12-24(15-6-4-3-5-7-15)28(26,27)17-13-14(8-9-16(17)20)19(25)22-18-10-11-21-23-18/h2-11,13H,1,12H2,(H2,21,22,23,25).
What are the key properties of 4-chloro-3-[phenyl(prop-2-enyl)sulfamoyl]-N-(1H-pyrazol-5-yl)benzamide?
4-chloro-3-[phenyl(prop-2-enyl)sulfamoyl]-N-(1H-pyrazol-5-yl)benzamide has a molecular weight of 416.89 g/mol, XLogP of 3.70, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[phenyl(prop-2-enyl)sulfamoyl]-N-(1H-pyrazol-5-yl)benzamide is sourced from PubChem (CID 52754440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).