(E)-2-(2-chlorophenyl)-N-(4-methyl-1-phenylpyrazol-5-yl)ethenesulfonamide

C18H16ClN3O2S — CID 100642340

IUPAC(E)-2-(2-chlorophenyl)-N-(4-methyl-1-phenylpyrazol-5-yl)ethenesulfonamide
SMILESCc1cnn(-c2ccccc2)c1NS(=O)(=O)/C=C/c1ccccc1Cl
InChIInChI=1S/C18H16ClN3O2S/c1-14-13-20-22(16-8-3-2-4-9-16)18(14)21-25(23,24)12-11-15-7-5-6-10-17(15)19/h2-13,21H,1H3/b12-11+
InChIKeyCQOIVWRTMHWGNB-VAWYXSNFSA-N
MW373.87 g/mol
LogP4.25
Rot. Bonds5

About (E)-2-(2-chlorophenyl)-N-(4-methyl-1-phenylpyrazol-5-yl)ethenesulfonamide

(E)-2-(2-chlorophenyl)-N-(4-methyl-1-phenylpyrazol-5-yl)ethenesulfonamide (PubChem CID 100642340) has the molecular formula C18H16ClN3O2S and a molecular weight of 373.87 g/mol. Its IUPAC name is (E)-2-(2-chlorophenyl)-N-(4-methyl-1-phenylpyrazol-5-yl)ethenesulfonamide.

Molecular Properties

Compound Name(E)-2-(2-chlorophenyl)-N-(4-methyl-1-phenylpyrazol-5-yl)ethenesulfonamide
PubChem CID100642340
Molecular FormulaC18H16ClN3O2S
Molecular Weight373.87 g/mol
Exact Mass373.07
IUPAC Name(E)-2-(2-chlorophenyl)-N-(4-methyl-1-phenylpyrazol-5-yl)ethenesulfonamide
SMILESCc1cnn(-c2ccccc2)c1NS(=O)(=O)/C=C/c1ccccc1Cl
InChIInChI=1S/C18H16ClN3O2S/c1-14-13-20-22(16-8-3-2-4-9-16)18(14)21-25(23,24)12-11-15-7-5-6-10-17(15)19/h2-13,21H,1H3/b12-11+
InChIKeyCQOIVWRTMHWGNB-VAWYXSNFSA-N
XLogP4.25
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.87
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (E)-2-(2-chlorophenyl)-N-(4-methyl-1-phenylpyrazol-5-yl)ethenesulfonamide?
The IUPAC name of (E)-2-(2-chlorophenyl)-N-(4-methyl-1-phenylpyrazol-5-yl)ethenesulfonamide (CID 100642340) is (E)-2-(2-chlorophenyl)-N-(4-methyl-1-phenylpyrazol-5-yl)ethenesulfonamide.
What is the SMILES notation for (E)-2-(2-chlorophenyl)-N-(4-methyl-1-phenylpyrazol-5-yl)ethenesulfonamide?
The canonical SMILES for (E)-2-(2-chlorophenyl)-N-(4-methyl-1-phenylpyrazol-5-yl)ethenesulfonamide is Cc1cnn(-c2ccccc2)c1NS(=O)(=O)/C=C/c1ccccc1Cl.
What is the InChIKey of (E)-2-(2-chlorophenyl)-N-(4-methyl-1-phenylpyrazol-5-yl)ethenesulfonamide?
The InChIKey is CQOIVWRTMHWGNB-VAWYXSNFSA-N. The full InChI is InChI=1S/C18H16ClN3O2S/c1-14-13-20-22(16-8-3-2-4-9-16)18(14)21-25(23,24)12-11-15-7-5-6-10-17(15)19/h2-13,21H,1H3/b12-11+.
What are the key properties of (E)-2-(2-chlorophenyl)-N-(4-methyl-1-phenylpyrazol-5-yl)ethenesulfonamide?
(E)-2-(2-chlorophenyl)-N-(4-methyl-1-phenylpyrazol-5-yl)ethenesulfonamide has a molecular weight of 373.87 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(2-chlorophenyl)-N-(4-methyl-1-phenylpyrazol-5-yl)ethenesulfonamide is sourced from PubChem (CID 100642340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).