2-[3-(4-chlorophenyl)-5-(3-methylthiophen-2-yl)pyrazol-1-yl]benzenesulfonamide

C20H16ClN3O2S2 — CID 67580133

IUPAC2-[3-(4-chlorophenyl)-5-(3-methylthiophen-2-yl)pyrazol-1-yl]benzenesulfonamide
SMILESCc1ccsc1-c1cc(-c2ccc(Cl)cc2)nn1-c1ccccc1S(N)(=O)=O
InChIInChI=1S/C20H16ClN3O2S2/c1-13-10-11-27-20(13)18-12-16(14-6-8-15(21)9-7-14)23-24(18)17-4-2-3-5-19(17)28(22,25)26/h2-12H,1H3,(H2,22,25,26)
InChIKeyOLXKPQWDZSBDKF-UHFFFAOYSA-N
MW429.95 g/mol
LogP4.88
Rot. Bonds4

About 2-[3-(4-chlorophenyl)-5-(3-methylthiophen-2-yl)pyrazol-1-yl]benzenesulfonamide

2-[3-(4-chlorophenyl)-5-(3-methylthiophen-2-yl)pyrazol-1-yl]benzenesulfonamide (PubChem CID 67580133) has the molecular formula C20H16ClN3O2S2 and a molecular weight of 429.95 g/mol. Its IUPAC name is 2-[3-(4-chlorophenyl)-5-(3-methylthiophen-2-yl)pyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-[3-(4-chlorophenyl)-5-(3-methylthiophen-2-yl)pyrazol-1-yl]benzenesulfonamide
PubChem CID67580133
Molecular FormulaC20H16ClN3O2S2
Molecular Weight429.95 g/mol
Exact Mass429.04
IUPAC Name2-[3-(4-chlorophenyl)-5-(3-methylthiophen-2-yl)pyrazol-1-yl]benzenesulfonamide
SMILESCc1ccsc1-c1cc(-c2ccc(Cl)cc2)nn1-c1ccccc1S(N)(=O)=O
InChIInChI=1S/C20H16ClN3O2S2/c1-13-10-11-27-20(13)18-12-16(14-6-8-15(21)9-7-14)23-24(18)17-4-2-3-5-19(17)28(22,25)26/h2-12H,1H3,(H2,22,25,26)
InChIKeyOLXKPQWDZSBDKF-UHFFFAOYSA-N
XLogP4.88
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.95
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-chlorophenyl)-5-(3-methylthiophen-2-yl)pyrazol-1-yl]benzenesulfonamide?
The IUPAC name of 2-[3-(4-chlorophenyl)-5-(3-methylthiophen-2-yl)pyrazol-1-yl]benzenesulfonamide (CID 67580133) is 2-[3-(4-chlorophenyl)-5-(3-methylthiophen-2-yl)pyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 2-[3-(4-chlorophenyl)-5-(3-methylthiophen-2-yl)pyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for 2-[3-(4-chlorophenyl)-5-(3-methylthiophen-2-yl)pyrazol-1-yl]benzenesulfonamide is Cc1ccsc1-c1cc(-c2ccc(Cl)cc2)nn1-c1ccccc1S(N)(=O)=O.
What is the InChIKey of 2-[3-(4-chlorophenyl)-5-(3-methylthiophen-2-yl)pyrazol-1-yl]benzenesulfonamide?
The InChIKey is OLXKPQWDZSBDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3O2S2/c1-13-10-11-27-20(13)18-12-16(14-6-8-15(21)9-7-14)23-24(18)17-4-2-3-5-19(17)28(22,25)26/h2-12H,1H3,(H2,22,25,26).
What are the key properties of 2-[3-(4-chlorophenyl)-5-(3-methylthiophen-2-yl)pyrazol-1-yl]benzenesulfonamide?
2-[3-(4-chlorophenyl)-5-(3-methylthiophen-2-yl)pyrazol-1-yl]benzenesulfonamide has a molecular weight of 429.95 g/mol, XLogP of 4.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-chlorophenyl)-5-(3-methylthiophen-2-yl)pyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 67580133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).