1-(2-chlorophenyl)-N-(1-hydroxybutan-2-yl)-5-methylpyrazole-4-sulfonamide

C14H18ClN3O3S — CID 84591439

IUPAC1-(2-chlorophenyl)-N-(1-hydroxybutan-2-yl)-5-methylpyrazole-4-sulfonamide
SMILESCCC(CO)NS(=O)(=O)c1cnn(-c2ccccc2Cl)c1C
InChIInChI=1S/C14H18ClN3O3S/c1-3-11(9-19)17-22(20,21)14-8-16-18(10(14)2)13-7-5-4-6-12(13)15/h4-8,11,17,19H,3,9H2,1-2H3
InChIKeyHCMNRXNYNDMNRV-UHFFFAOYSA-N
MW343.84 g/mol
LogP1.88
Rot. Bonds6

About 1-(2-chlorophenyl)-N-(1-hydroxybutan-2-yl)-5-methylpyrazole-4-sulfonamide

1-(2-chlorophenyl)-N-(1-hydroxybutan-2-yl)-5-methylpyrazole-4-sulfonamide (PubChem CID 84591439) has the molecular formula C14H18ClN3O3S and a molecular weight of 343.84 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-(1-hydroxybutan-2-yl)-5-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-(1-hydroxybutan-2-yl)-5-methylpyrazole-4-sulfonamide
PubChem CID84591439
Molecular FormulaC14H18ClN3O3S
Molecular Weight343.84 g/mol
Exact Mass343.08
IUPAC Name1-(2-chlorophenyl)-N-(1-hydroxybutan-2-yl)-5-methylpyrazole-4-sulfonamide
SMILESCCC(CO)NS(=O)(=O)c1cnn(-c2ccccc2Cl)c1C
InChIInChI=1S/C14H18ClN3O3S/c1-3-11(9-19)17-22(20,21)14-8-16-18(10(14)2)13-7-5-4-6-12(13)15/h4-8,11,17,19H,3,9H2,1-2H3
InChIKeyHCMNRXNYNDMNRV-UHFFFAOYSA-N
XLogP1.88
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.84
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-(1-hydroxybutan-2-yl)-5-methylpyrazole-4-sulfonamide?
The IUPAC name of 1-(2-chlorophenyl)-N-(1-hydroxybutan-2-yl)-5-methylpyrazole-4-sulfonamide (CID 84591439) is 1-(2-chlorophenyl)-N-(1-hydroxybutan-2-yl)-5-methylpyrazole-4-sulfonamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-(1-hydroxybutan-2-yl)-5-methylpyrazole-4-sulfonamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-(1-hydroxybutan-2-yl)-5-methylpyrazole-4-sulfonamide is CCC(CO)NS(=O)(=O)c1cnn(-c2ccccc2Cl)c1C.
What is the InChIKey of 1-(2-chlorophenyl)-N-(1-hydroxybutan-2-yl)-5-methylpyrazole-4-sulfonamide?
The InChIKey is HCMNRXNYNDMNRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O3S/c1-3-11(9-19)17-22(20,21)14-8-16-18(10(14)2)13-7-5-4-6-12(13)15/h4-8,11,17,19H,3,9H2,1-2H3.
What are the key properties of 1-(2-chlorophenyl)-N-(1-hydroxybutan-2-yl)-5-methylpyrazole-4-sulfonamide?
1-(2-chlorophenyl)-N-(1-hydroxybutan-2-yl)-5-methylpyrazole-4-sulfonamide has a molecular weight of 343.84 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-(1-hydroxybutan-2-yl)-5-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 84591439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).