2-[4-(4-chlorophenyl)-1-ethyl-5-methylpyrazol-3-yl]benzenesulfonamide

C18H18ClN3O2S — CID 67646311

IUPAC2-[4-(4-chlorophenyl)-1-ethyl-5-methylpyrazol-3-yl]benzenesulfonamide
SMILESCCn1nc(-c2ccccc2S(N)(=O)=O)c(-c2ccc(Cl)cc2)c1C
InChIInChI=1S/C18H18ClN3O2S/c1-3-22-12(2)17(13-8-10-14(19)11-9-13)18(21-22)15-6-4-5-7-16(15)25(20,23)24/h4-11H,3H2,1-2H3,(H2,20,23,24)
InChIKeyBBVJMTCSESROSY-UHFFFAOYSA-N
MW375.88 g/mol
LogP3.85
Rot. Bonds4

About 2-[4-(4-chlorophenyl)-1-ethyl-5-methylpyrazol-3-yl]benzenesulfonamide

2-[4-(4-chlorophenyl)-1-ethyl-5-methylpyrazol-3-yl]benzenesulfonamide (PubChem CID 67646311) has the molecular formula C18H18ClN3O2S and a molecular weight of 375.88 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)-1-ethyl-5-methylpyrazol-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)-1-ethyl-5-methylpyrazol-3-yl]benzenesulfonamide
PubChem CID67646311
Molecular FormulaC18H18ClN3O2S
Molecular Weight375.88 g/mol
Exact Mass375.08
IUPAC Name2-[4-(4-chlorophenyl)-1-ethyl-5-methylpyrazol-3-yl]benzenesulfonamide
SMILESCCn1nc(-c2ccccc2S(N)(=O)=O)c(-c2ccc(Cl)cc2)c1C
InChIInChI=1S/C18H18ClN3O2S/c1-3-22-12(2)17(13-8-10-14(19)11-9-13)18(21-22)15-6-4-5-7-16(15)25(20,23)24/h4-11H,3H2,1-2H3,(H2,20,23,24)
InChIKeyBBVJMTCSESROSY-UHFFFAOYSA-N
XLogP3.85
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.88
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)-1-ethyl-5-methylpyrazol-3-yl]benzenesulfonamide?
The IUPAC name of 2-[4-(4-chlorophenyl)-1-ethyl-5-methylpyrazol-3-yl]benzenesulfonamide (CID 67646311) is 2-[4-(4-chlorophenyl)-1-ethyl-5-methylpyrazol-3-yl]benzenesulfonamide.
What is the SMILES notation for 2-[4-(4-chlorophenyl)-1-ethyl-5-methylpyrazol-3-yl]benzenesulfonamide?
The canonical SMILES for 2-[4-(4-chlorophenyl)-1-ethyl-5-methylpyrazol-3-yl]benzenesulfonamide is CCn1nc(-c2ccccc2S(N)(=O)=O)c(-c2ccc(Cl)cc2)c1C.
What is the InChIKey of 2-[4-(4-chlorophenyl)-1-ethyl-5-methylpyrazol-3-yl]benzenesulfonamide?
The InChIKey is BBVJMTCSESROSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O2S/c1-3-22-12(2)17(13-8-10-14(19)11-9-13)18(21-22)15-6-4-5-7-16(15)25(20,23)24/h4-11H,3H2,1-2H3,(H2,20,23,24).
What are the key properties of 2-[4-(4-chlorophenyl)-1-ethyl-5-methylpyrazol-3-yl]benzenesulfonamide?
2-[4-(4-chlorophenyl)-1-ethyl-5-methylpyrazol-3-yl]benzenesulfonamide has a molecular weight of 375.88 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)-1-ethyl-5-methylpyrazol-3-yl]benzenesulfonamide is sourced from PubChem (CID 67646311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).