2-chloro-5-(propan-2-ylsulfamoyl)-N-[3-(2-pyrazol-1-ylethoxy)phenyl]benzamide

C21H23ClN4O4S — CID 55881225

IUPAC2-chloro-5-(propan-2-ylsulfamoyl)-N-[3-(2-pyrazol-1-ylethoxy)phenyl]benzamide
SMILESCC(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cccc(OCCn3cccn3)c2)c1
InChIInChI=1S/C21H23ClN4O4S/c1-15(2)25-31(28,29)18-7-8-20(22)19(14-18)21(27)24-16-5-3-6-17(13-16)30-12-11-26-10-4-9-23-26/h3-10,13-15,25H,11-12H2,1-2H3,(H,24,27)
InChIKeySZIKEUUPTBVUJO-UHFFFAOYSA-N
MW462.96 g/mol
LogP3.55
Rot. Bonds9

About 2-chloro-5-(propan-2-ylsulfamoyl)-N-[3-(2-pyrazol-1-ylethoxy)phenyl]benzamide

2-chloro-5-(propan-2-ylsulfamoyl)-N-[3-(2-pyrazol-1-ylethoxy)phenyl]benzamide (PubChem CID 55881225) has the molecular formula C21H23ClN4O4S and a molecular weight of 462.96 g/mol. Its IUPAC name is 2-chloro-5-(propan-2-ylsulfamoyl)-N-[3-(2-pyrazol-1-ylethoxy)phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-5-(propan-2-ylsulfamoyl)-N-[3-(2-pyrazol-1-ylethoxy)phenyl]benzamide
PubChem CID55881225
Molecular FormulaC21H23ClN4O4S
Molecular Weight462.96 g/mol
Exact Mass462.11
IUPAC Name2-chloro-5-(propan-2-ylsulfamoyl)-N-[3-(2-pyrazol-1-ylethoxy)phenyl]benzamide
SMILESCC(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cccc(OCCn3cccn3)c2)c1
InChIInChI=1S/C21H23ClN4O4S/c1-15(2)25-31(28,29)18-7-8-20(22)19(14-18)21(27)24-16-5-3-6-17(13-16)30-12-11-26-10-4-9-23-26/h3-10,13-15,25H,11-12H2,1-2H3,(H,24,27)
InChIKeySZIKEUUPTBVUJO-UHFFFAOYSA-N
XLogP3.55
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.96
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-[3-(2-pyrazol-1-ylethoxy)phenyl]benzamide
CID 55968651
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[3-(2-pyrazol-1-ylethoxy)phenyl]propanamide
CID 55968780
2-chloro-4-nitro-N-[3-(2-pyrazol-1-ylethoxy)phenyl]benzamide
CID 55766528
methyl 2-hydroxy-5-[[3-(2-pyrazol-1-ylethoxy)phenyl]sulfamoyl]benzoate
CID 55900967
5-[(2-chlorobenzoyl)amino]-3-methyl-N-[3-(2-pyrazol-1-ylethoxy)phenyl]thiophene-2-carboxamide
CID 55853728
N-[2-(3-bromophenoxy)ethyl]-2-chloro-5-(propan-2-ylsulfamoyl)benzamide
CID 60549183
N-(2-methylpropyl)-N'-[3-(2-pyrazol-1-ylethoxy)phenyl]oxamide
CID 87039258
2-phenoxy-N-[3-(2-pyrazol-1-ylethoxy)phenyl]pyridine-3-carboxamide
CID 55880460
N-[3-(2-pyrazol-1-ylethoxy)phenyl]-2H-benzotriazole-4-carboxamide
CID 86804269
1-(4-chlorophenyl)-5-methyl-N-[3-(2-pyrazol-1-ylethoxy)phenyl]-1,2,4-triazole-3-carboxamide
CID 78901983
4-phenyl-N-[3-(2-pyrazol-1-ylethoxy)phenyl]benzamide
CID 55767479
2-fluoro-N-[3-methyl-1-oxo-1-[3-(2-pyrazol-1-ylethoxy)anilino]butan-2-yl]benzamide
CID 55767418

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(propan-2-ylsulfamoyl)-N-[3-(2-pyrazol-1-ylethoxy)phenyl]benzamide?
The IUPAC name of 2-chloro-5-(propan-2-ylsulfamoyl)-N-[3-(2-pyrazol-1-ylethoxy)phenyl]benzamide (CID 55881225) is 2-chloro-5-(propan-2-ylsulfamoyl)-N-[3-(2-pyrazol-1-ylethoxy)phenyl]benzamide.
What is the SMILES notation for 2-chloro-5-(propan-2-ylsulfamoyl)-N-[3-(2-pyrazol-1-ylethoxy)phenyl]benzamide?
The canonical SMILES for 2-chloro-5-(propan-2-ylsulfamoyl)-N-[3-(2-pyrazol-1-ylethoxy)phenyl]benzamide is CC(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cccc(OCCn3cccn3)c2)c1.
What is the InChIKey of 2-chloro-5-(propan-2-ylsulfamoyl)-N-[3-(2-pyrazol-1-ylethoxy)phenyl]benzamide?
The InChIKey is SZIKEUUPTBVUJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O4S/c1-15(2)25-31(28,29)18-7-8-20(22)19(14-18)21(27)24-16-5-3-6-17(13-16)30-12-11-26-10-4-9-23-26/h3-10,13-15,25H,11-12H2,1-2H3,(H,24,27).
What are the key properties of 2-chloro-5-(propan-2-ylsulfamoyl)-N-[3-(2-pyrazol-1-ylethoxy)phenyl]benzamide?
2-chloro-5-(propan-2-ylsulfamoyl)-N-[3-(2-pyrazol-1-ylethoxy)phenyl]benzamide has a molecular weight of 462.96 g/mol, XLogP of 3.55, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(propan-2-ylsulfamoyl)-N-[3-(2-pyrazol-1-ylethoxy)phenyl]benzamide is sourced from PubChem (CID 55881225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).