1-(benzenesulfonamido)-5-(4-chlorophenyl)-N-propan-2-ylpyrazole-3-sulfonamide

C18H19ClN4O4S2 — CID 67649580

IUPAC1-(benzenesulfonamido)-5-(4-chlorophenyl)-N-propan-2-ylpyrazole-3-sulfonamide
SMILESCC(C)NS(=O)(=O)c1cc(-c2ccc(Cl)cc2)n(NS(=O)(=O)c2ccccc2)n1
InChIInChI=1S/C18H19ClN4O4S2/c1-13(2)21-29(26,27)18-12-17(14-8-10-15(19)11-9-14)23(20-18)22-28(24,25)16-6-4-3-5-7-16/h3-13,21-22H,1-2H3
InChIKeyFDTCLILHXQLDJK-UHFFFAOYSA-N
MW454.96 g/mol
LogP2.82
Rot. Bonds7

About 1-(benzenesulfonamido)-5-(4-chlorophenyl)-N-propan-2-ylpyrazole-3-sulfonamide

1-(benzenesulfonamido)-5-(4-chlorophenyl)-N-propan-2-ylpyrazole-3-sulfonamide (PubChem CID 67649580) has the molecular formula C18H19ClN4O4S2 and a molecular weight of 454.96 g/mol. Its IUPAC name is 1-(benzenesulfonamido)-5-(4-chlorophenyl)-N-propan-2-ylpyrazole-3-sulfonamide.

Molecular Properties

Compound Name1-(benzenesulfonamido)-5-(4-chlorophenyl)-N-propan-2-ylpyrazole-3-sulfonamide
PubChem CID67649580
Molecular FormulaC18H19ClN4O4S2
Molecular Weight454.96 g/mol
Exact Mass454.05
IUPAC Name1-(benzenesulfonamido)-5-(4-chlorophenyl)-N-propan-2-ylpyrazole-3-sulfonamide
SMILESCC(C)NS(=O)(=O)c1cc(-c2ccc(Cl)cc2)n(NS(=O)(=O)c2ccccc2)n1
InChIInChI=1S/C18H19ClN4O4S2/c1-13(2)21-29(26,27)18-12-17(14-8-10-15(19)11-9-14)23(20-18)22-28(24,25)16-6-4-3-5-7-16/h3-13,21-22H,1-2H3
InChIKeyFDTCLILHXQLDJK-UHFFFAOYSA-N
XLogP2.82
TPSA110.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.96
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonamido)-5-(4-chlorophenyl)-N-propan-2-ylpyrazole-3-sulfonamide?
The IUPAC name of 1-(benzenesulfonamido)-5-(4-chlorophenyl)-N-propan-2-ylpyrazole-3-sulfonamide (CID 67649580) is 1-(benzenesulfonamido)-5-(4-chlorophenyl)-N-propan-2-ylpyrazole-3-sulfonamide.
What is the SMILES notation for 1-(benzenesulfonamido)-5-(4-chlorophenyl)-N-propan-2-ylpyrazole-3-sulfonamide?
The canonical SMILES for 1-(benzenesulfonamido)-5-(4-chlorophenyl)-N-propan-2-ylpyrazole-3-sulfonamide is CC(C)NS(=O)(=O)c1cc(-c2ccc(Cl)cc2)n(NS(=O)(=O)c2ccccc2)n1.
What is the InChIKey of 1-(benzenesulfonamido)-5-(4-chlorophenyl)-N-propan-2-ylpyrazole-3-sulfonamide?
The InChIKey is FDTCLILHXQLDJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O4S2/c1-13(2)21-29(26,27)18-12-17(14-8-10-15(19)11-9-14)23(20-18)22-28(24,25)16-6-4-3-5-7-16/h3-13,21-22H,1-2H3.
What are the key properties of 1-(benzenesulfonamido)-5-(4-chlorophenyl)-N-propan-2-ylpyrazole-3-sulfonamide?
1-(benzenesulfonamido)-5-(4-chlorophenyl)-N-propan-2-ylpyrazole-3-sulfonamide has a molecular weight of 454.96 g/mol, XLogP of 2.82, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonamido)-5-(4-chlorophenyl)-N-propan-2-ylpyrazole-3-sulfonamide is sourced from PubChem (CID 67649580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).