4-[(4-chlorophenyl)sulfamoyl]-N-(1H-pyrazol-5-yl)benzamide

C16H13ClN4O3S — CID 47835687

IUPAC4-[(4-chlorophenyl)sulfamoyl]-N-(1H-pyrazol-5-yl)benzamide
SMILESO=C(Nc1ccn[nH]1)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H13ClN4O3S/c17-12-3-5-13(6-4-12)21-25(23,24)14-7-1-11(2-8-14)16(22)19-15-9-10-18-20-15/h1-10,21H,(H2,18,19,20,22)
InChIKeyRTXPAGALUSZTPP-UHFFFAOYSA-N
MW376.83 g/mol
LogP3.12
Rot. Bonds5

About 4-[(4-chlorophenyl)sulfamoyl]-N-(1H-pyrazol-5-yl)benzamide

4-[(4-chlorophenyl)sulfamoyl]-N-(1H-pyrazol-5-yl)benzamide (PubChem CID 47835687) has the molecular formula C16H13ClN4O3S and a molecular weight of 376.83 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)sulfamoyl]-N-(1H-pyrazol-5-yl)benzamide.

Molecular Properties

Compound Name4-[(4-chlorophenyl)sulfamoyl]-N-(1H-pyrazol-5-yl)benzamide
PubChem CID47835687
Molecular FormulaC16H13ClN4O3S
Molecular Weight376.83 g/mol
Exact Mass376.04
IUPAC Name4-[(4-chlorophenyl)sulfamoyl]-N-(1H-pyrazol-5-yl)benzamide
SMILESO=C(Nc1ccn[nH]1)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H13ClN4O3S/c17-12-3-5-13(6-4-12)21-25(23,24)14-7-1-11(2-8-14)16(22)19-15-9-10-18-20-15/h1-10,21H,(H2,18,19,20,22)
InChIKeyRTXPAGALUSZTPP-UHFFFAOYSA-N
XLogP3.12
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.83
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)sulfamoyl]-N-(1H-pyrazol-5-yl)benzamide?
The IUPAC name of 4-[(4-chlorophenyl)sulfamoyl]-N-(1H-pyrazol-5-yl)benzamide (CID 47835687) is 4-[(4-chlorophenyl)sulfamoyl]-N-(1H-pyrazol-5-yl)benzamide.
What is the SMILES notation for 4-[(4-chlorophenyl)sulfamoyl]-N-(1H-pyrazol-5-yl)benzamide?
The canonical SMILES for 4-[(4-chlorophenyl)sulfamoyl]-N-(1H-pyrazol-5-yl)benzamide is O=C(Nc1ccn[nH]1)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[(4-chlorophenyl)sulfamoyl]-N-(1H-pyrazol-5-yl)benzamide?
The InChIKey is RTXPAGALUSZTPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4O3S/c17-12-3-5-13(6-4-12)21-25(23,24)14-7-1-11(2-8-14)16(22)19-15-9-10-18-20-15/h1-10,21H,(H2,18,19,20,22).
What are the key properties of 4-[(4-chlorophenyl)sulfamoyl]-N-(1H-pyrazol-5-yl)benzamide?
4-[(4-chlorophenyl)sulfamoyl]-N-(1H-pyrazol-5-yl)benzamide has a molecular weight of 376.83 g/mol, XLogP of 3.12, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)sulfamoyl]-N-(1H-pyrazol-5-yl)benzamide is sourced from PubChem (CID 47835687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).