4-(4-cyclopentylpiperazin-1-yl)sulfonyl-N-(2-methylpropyl)benzenesulfonamide

C19H31N3O4S2 — CID 24793341

IUPAC4-(4-cyclopentylpiperazin-1-yl)sulfonyl-N-(2-methylpropyl)benzenesulfonamide
SMILESCC(C)CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(C3CCCC3)CC2)cc1
InChIInChI=1S/C19H31N3O4S2/c1-16(2)15-20-27(23,24)18-7-9-19(10-8-18)28(25,26)22-13-11-21(12-14-22)17-5-3-4-6-17/h7-10,16-17,20H,3-6,11-15H2,1-2H3
InChIKeyXVNYLIUUZWNCAH-UHFFFAOYSA-N
MW429.61 g/mol
LogP1.87
Rot. Bonds7

About 4-(4-cyclopentylpiperazin-1-yl)sulfonyl-N-(2-methylpropyl)benzenesulfonamide

4-(4-cyclopentylpiperazin-1-yl)sulfonyl-N-(2-methylpropyl)benzenesulfonamide (PubChem CID 24793341) has the molecular formula C19H31N3O4S2 and a molecular weight of 429.61 g/mol. Its IUPAC name is 4-(4-cyclopentylpiperazin-1-yl)sulfonyl-N-(2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(4-cyclopentylpiperazin-1-yl)sulfonyl-N-(2-methylpropyl)benzenesulfonamide
PubChem CID24793341
Molecular FormulaC19H31N3O4S2
Molecular Weight429.61 g/mol
Exact Mass429.18
IUPAC Name4-(4-cyclopentylpiperazin-1-yl)sulfonyl-N-(2-methylpropyl)benzenesulfonamide
SMILESCC(C)CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(C3CCCC3)CC2)cc1
InChIInChI=1S/C19H31N3O4S2/c1-16(2)15-20-27(23,24)18-7-9-19(10-8-18)28(25,26)22-13-11-21(12-14-22)17-5-3-4-6-17/h7-10,16-17,20H,3-6,11-15H2,1-2H3
InChIKeyXVNYLIUUZWNCAH-UHFFFAOYSA-N
XLogP1.87
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.61
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclopentylpiperazin-1-yl)sulfonyl-N-(2-methylpropyl)benzenesulfonamide?
The IUPAC name of 4-(4-cyclopentylpiperazin-1-yl)sulfonyl-N-(2-methylpropyl)benzenesulfonamide (CID 24793341) is 4-(4-cyclopentylpiperazin-1-yl)sulfonyl-N-(2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for 4-(4-cyclopentylpiperazin-1-yl)sulfonyl-N-(2-methylpropyl)benzenesulfonamide?
The canonical SMILES for 4-(4-cyclopentylpiperazin-1-yl)sulfonyl-N-(2-methylpropyl)benzenesulfonamide is CC(C)CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(C3CCCC3)CC2)cc1.
What is the InChIKey of 4-(4-cyclopentylpiperazin-1-yl)sulfonyl-N-(2-methylpropyl)benzenesulfonamide?
The InChIKey is XVNYLIUUZWNCAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O4S2/c1-16(2)15-20-27(23,24)18-7-9-19(10-8-18)28(25,26)22-13-11-21(12-14-22)17-5-3-4-6-17/h7-10,16-17,20H,3-6,11-15H2,1-2H3.
What are the key properties of 4-(4-cyclopentylpiperazin-1-yl)sulfonyl-N-(2-methylpropyl)benzenesulfonamide?
4-(4-cyclopentylpiperazin-1-yl)sulfonyl-N-(2-methylpropyl)benzenesulfonamide has a molecular weight of 429.61 g/mol, XLogP of 1.87, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclopentylpiperazin-1-yl)sulfonyl-N-(2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 24793341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).