4-[1-(4-chlorophenyl)-3-(cyclopentanecarbonyl)pyrazol-5-yl]benzenesulfonamide

C21H20ClN3O3S — CID 162668569

IUPAC4-[1-(4-chlorophenyl)-3-(cyclopentanecarbonyl)pyrazol-5-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2cc(C(=O)C3CCCC3)nn2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H20ClN3O3S/c22-16-7-9-17(10-8-16)25-20(14-5-11-18(12-6-14)29(23,27)28)13-19(24-25)21(26)15-3-1-2-4-15/h5-13,15H,1-4H2,(H2,23,27,28)
InChIKeyZXTSYMHHKIOVPQ-UHFFFAOYSA-N
MW429.93 g/mol
LogP4.21
Rot. Bonds5

About 4-[1-(4-chlorophenyl)-3-(cyclopentanecarbonyl)pyrazol-5-yl]benzenesulfonamide

4-[1-(4-chlorophenyl)-3-(cyclopentanecarbonyl)pyrazol-5-yl]benzenesulfonamide (PubChem CID 162668569) has the molecular formula C21H20ClN3O3S and a molecular weight of 429.93 g/mol. Its IUPAC name is 4-[1-(4-chlorophenyl)-3-(cyclopentanecarbonyl)pyrazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[1-(4-chlorophenyl)-3-(cyclopentanecarbonyl)pyrazol-5-yl]benzenesulfonamide
PubChem CID162668569
Molecular FormulaC21H20ClN3O3S
Molecular Weight429.93 g/mol
Exact Mass429.09
IUPAC Name4-[1-(4-chlorophenyl)-3-(cyclopentanecarbonyl)pyrazol-5-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2cc(C(=O)C3CCCC3)nn2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H20ClN3O3S/c22-16-7-9-17(10-8-16)25-20(14-5-11-18(12-6-14)29(23,27)28)13-19(24-25)21(26)15-3-1-2-4-15/h5-13,15H,1-4H2,(H2,23,27,28)
InChIKeyZXTSYMHHKIOVPQ-UHFFFAOYSA-N
XLogP4.21
TPSA95.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.93
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-chlorophenyl)-3-(cyclopentanecarbonyl)pyrazol-5-yl]benzenesulfonamide?
The IUPAC name of 4-[1-(4-chlorophenyl)-3-(cyclopentanecarbonyl)pyrazol-5-yl]benzenesulfonamide (CID 162668569) is 4-[1-(4-chlorophenyl)-3-(cyclopentanecarbonyl)pyrazol-5-yl]benzenesulfonamide.
What is the SMILES notation for 4-[1-(4-chlorophenyl)-3-(cyclopentanecarbonyl)pyrazol-5-yl]benzenesulfonamide?
The canonical SMILES for 4-[1-(4-chlorophenyl)-3-(cyclopentanecarbonyl)pyrazol-5-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-c2cc(C(=O)C3CCCC3)nn2-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[1-(4-chlorophenyl)-3-(cyclopentanecarbonyl)pyrazol-5-yl]benzenesulfonamide?
The InChIKey is ZXTSYMHHKIOVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O3S/c22-16-7-9-17(10-8-16)25-20(14-5-11-18(12-6-14)29(23,27)28)13-19(24-25)21(26)15-3-1-2-4-15/h5-13,15H,1-4H2,(H2,23,27,28).
What are the key properties of 4-[1-(4-chlorophenyl)-3-(cyclopentanecarbonyl)pyrazol-5-yl]benzenesulfonamide?
4-[1-(4-chlorophenyl)-3-(cyclopentanecarbonyl)pyrazol-5-yl]benzenesulfonamide has a molecular weight of 429.93 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-chlorophenyl)-3-(cyclopentanecarbonyl)pyrazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 162668569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).