2-chloro-5-[ethyl(phenyl)sulfamoyl]-N-(1-methylpyrazol-3-yl)benzamide

C19H19ClN4O3S — CID 7614476

IUPAC2-chloro-5-[ethyl(phenyl)sulfamoyl]-N-(1-methylpyrazol-3-yl)benzamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccn(C)n2)c1
InChIInChI=1S/C19H19ClN4O3S/c1-3-24(14-7-5-4-6-8-14)28(26,27)15-9-10-17(20)16(13-15)19(25)21-18-11-12-23(2)22-18/h4-13H,3H2,1-2H3,(H,21,22,25)
InChIKeyPVLLDQSSZMAHKP-UHFFFAOYSA-N
MW418.91 g/mol
LogP3.54
Rot. Bonds6

About 2-chloro-5-[ethyl(phenyl)sulfamoyl]-N-(1-methylpyrazol-3-yl)benzamide

2-chloro-5-[ethyl(phenyl)sulfamoyl]-N-(1-methylpyrazol-3-yl)benzamide (PubChem CID 7614476) has the molecular formula C19H19ClN4O3S and a molecular weight of 418.91 g/mol. Its IUPAC name is 2-chloro-5-[ethyl(phenyl)sulfamoyl]-N-(1-methylpyrazol-3-yl)benzamide.

Molecular Properties

Compound Name2-chloro-5-[ethyl(phenyl)sulfamoyl]-N-(1-methylpyrazol-3-yl)benzamide
PubChem CID7614476
Molecular FormulaC19H19ClN4O3S
Molecular Weight418.91 g/mol
Exact Mass418.09
IUPAC Name2-chloro-5-[ethyl(phenyl)sulfamoyl]-N-(1-methylpyrazol-3-yl)benzamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccn(C)n2)c1
InChIInChI=1S/C19H19ClN4O3S/c1-3-24(14-7-5-4-6-8-14)28(26,27)15-9-10-17(20)16(13-15)19(25)21-18-11-12-23(2)22-18/h4-13H,3H2,1-2H3,(H,21,22,25)
InChIKeyPVLLDQSSZMAHKP-UHFFFAOYSA-N
XLogP3.54
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.91
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(azepan-1-ylsulfonyl)-N-(1-phenylpyrazol-3-yl)benzamide
CID 2308367
4-chloro-N-(1-phenylpyrazol-3-yl)benzamide
CID 810450
2-chloro-5-(diethylsulfamoyl)-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
CID 2350148
2,4-dichloro-5-(dimethylsulfamoyl)-N-(1-methylpyrazol-3-yl)benzamide
CID 5241699
N-[4-({[1-(2-chlorobenzyl)-1H-pyrazol-3-yl]amino}sulfonyl)phenyl]acetamide
CID 1017937
4-(dimethylsulfamoyl)-N-(1-methylpyrazol-3-yl)benzamide
CID 7638262
3-[(4-chlorophenyl)-methylsulfamoyl]-N-(6-chloropyridazin-3-yl)benzamide
CID 90343001
N-(2-cyclohexylpyrazol-3-yl)-4-(dimethylsulfamoyl)benzamide
CID 2095800
3-[benzyl-(2-chlorophenyl)sulfamoyl]-N-(1-methylpyrazol-3-yl)benzamide
CID 16335821
N-(6-chloropyridazin-3-yl)-3-[(4-fluorophenyl)-methylsulfamoyl]benzamide
CID 90342691
3-[(4-chlorophenyl)sulfonylamino]-N-(1-methylpyrazol-4-yl)benzamide
CID 152790957
N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 16232971

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[ethyl(phenyl)sulfamoyl]-N-(1-methylpyrazol-3-yl)benzamide?
The IUPAC name of 2-chloro-5-[ethyl(phenyl)sulfamoyl]-N-(1-methylpyrazol-3-yl)benzamide (CID 7614476) is 2-chloro-5-[ethyl(phenyl)sulfamoyl]-N-(1-methylpyrazol-3-yl)benzamide.
What is the SMILES notation for 2-chloro-5-[ethyl(phenyl)sulfamoyl]-N-(1-methylpyrazol-3-yl)benzamide?
The canonical SMILES for 2-chloro-5-[ethyl(phenyl)sulfamoyl]-N-(1-methylpyrazol-3-yl)benzamide is CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccn(C)n2)c1.
What is the InChIKey of 2-chloro-5-[ethyl(phenyl)sulfamoyl]-N-(1-methylpyrazol-3-yl)benzamide?
The InChIKey is PVLLDQSSZMAHKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O3S/c1-3-24(14-7-5-4-6-8-14)28(26,27)15-9-10-17(20)16(13-15)19(25)21-18-11-12-23(2)22-18/h4-13H,3H2,1-2H3,(H,21,22,25).
What are the key properties of 2-chloro-5-[ethyl(phenyl)sulfamoyl]-N-(1-methylpyrazol-3-yl)benzamide?
2-chloro-5-[ethyl(phenyl)sulfamoyl]-N-(1-methylpyrazol-3-yl)benzamide has a molecular weight of 418.91 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[ethyl(phenyl)sulfamoyl]-N-(1-methylpyrazol-3-yl)benzamide is sourced from PubChem (CID 7614476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).