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

C17H16ClN3O2S — CID 19355219

IUPAC4-[4-(4-chlorophenyl)-5-ethyl-1H-pyrazol-3-yl]benzenesulfonamide
SMILESCCc1[nH]nc(-c2ccc(S(N)(=O)=O)cc2)c1-c1ccc(Cl)cc1
InChIInChI=1S/C17H16ClN3O2S/c1-2-15-16(11-3-7-13(18)8-4-11)17(21-20-15)12-5-9-14(10-6-12)24(19,22)23/h3-10H,2H2,1H3,(H,20,21)(H2,19,22,23)
InChIKeyAGTFJSXDDNPZBC-UHFFFAOYSA-N
MW361.85 g/mol
LogP3.61
Rot. Bonds4

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

4-[4-(4-chlorophenyl)-5-ethyl-1H-pyrazol-3-yl]benzenesulfonamide (PubChem CID 19355219) has the molecular formula C17H16ClN3O2S and a molecular weight of 361.85 g/mol. Its IUPAC name is 4-[4-(4-chlorophenyl)-5-ethyl-1H-pyrazol-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[4-(4-chlorophenyl)-5-ethyl-1H-pyrazol-3-yl]benzenesulfonamide
PubChem CID19355219
Molecular FormulaC17H16ClN3O2S
Molecular Weight361.85 g/mol
Exact Mass361.07
IUPAC Name4-[4-(4-chlorophenyl)-5-ethyl-1H-pyrazol-3-yl]benzenesulfonamide
SMILESCCc1[nH]nc(-c2ccc(S(N)(=O)=O)cc2)c1-c1ccc(Cl)cc1
InChIInChI=1S/C17H16ClN3O2S/c1-2-15-16(11-3-7-13(18)8-4-11)17(21-20-15)12-5-9-14(10-6-12)24(19,22)23/h3-10H,2H2,1H3,(H,20,21)(H2,19,22,23)
InChIKeyAGTFJSXDDNPZBC-UHFFFAOYSA-N
XLogP3.61
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.85
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-chlorophenyl)-5-ethyl-1H-pyrazol-3-yl]benzenesulfonamide?
The IUPAC name of 4-[4-(4-chlorophenyl)-5-ethyl-1H-pyrazol-3-yl]benzenesulfonamide (CID 19355219) is 4-[4-(4-chlorophenyl)-5-ethyl-1H-pyrazol-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-[4-(4-chlorophenyl)-5-ethyl-1H-pyrazol-3-yl]benzenesulfonamide?
The canonical SMILES for 4-[4-(4-chlorophenyl)-5-ethyl-1H-pyrazol-3-yl]benzenesulfonamide is CCc1[nH]nc(-c2ccc(S(N)(=O)=O)cc2)c1-c1ccc(Cl)cc1.
What is the InChIKey of 4-[4-(4-chlorophenyl)-5-ethyl-1H-pyrazol-3-yl]benzenesulfonamide?
The InChIKey is AGTFJSXDDNPZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O2S/c1-2-15-16(11-3-7-13(18)8-4-11)17(21-20-15)12-5-9-14(10-6-12)24(19,22)23/h3-10H,2H2,1H3,(H,20,21)(H2,19,22,23).
What are the key properties of 4-[4-(4-chlorophenyl)-5-ethyl-1H-pyrazol-3-yl]benzenesulfonamide?
4-[4-(4-chlorophenyl)-5-ethyl-1H-pyrazol-3-yl]benzenesulfonamide has a molecular weight of 361.85 g/mol, XLogP of 3.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-chlorophenyl)-5-ethyl-1H-pyrazol-3-yl]benzenesulfonamide is sourced from PubChem (CID 19355219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).