4-chloro-N-cyclopropyl-N-(2-piperazin-1-ylsulfonylethyl)benzenesulfonamide

C15H22ClN3O4S2 — CID 20971312

IUPAC4-chloro-N-cyclopropyl-N-(2-piperazin-1-ylsulfonylethyl)benzenesulfonamide
SMILESO=S(=O)(CCN(C1CC1)S(=O)(=O)c1ccc(Cl)cc1)N1CCNCC1
InChIInChI=1S/C15H22ClN3O4S2/c16-13-1-5-15(6-2-13)25(22,23)19(14-3-4-14)11-12-24(20,21)18-9-7-17-8-10-18/h1-2,5-6,14,17H,3-4,7-12H2
InChIKeyMOICYOUMIYIASN-UHFFFAOYSA-N
MW407.95 g/mol
LogP0.73
Rot. Bonds7

About 4-chloro-N-cyclopropyl-N-(2-piperazin-1-ylsulfonylethyl)benzenesulfonamide

4-chloro-N-cyclopropyl-N-(2-piperazin-1-ylsulfonylethyl)benzenesulfonamide (PubChem CID 20971312) has the molecular formula C15H22ClN3O4S2 and a molecular weight of 407.95 g/mol. Its IUPAC name is 4-chloro-N-cyclopropyl-N-(2-piperazin-1-ylsulfonylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-cyclopropyl-N-(2-piperazin-1-ylsulfonylethyl)benzenesulfonamide
PubChem CID20971312
Molecular FormulaC15H22ClN3O4S2
Molecular Weight407.95 g/mol
Exact Mass407.07
IUPAC Name4-chloro-N-cyclopropyl-N-(2-piperazin-1-ylsulfonylethyl)benzenesulfonamide
SMILESO=S(=O)(CCN(C1CC1)S(=O)(=O)c1ccc(Cl)cc1)N1CCNCC1
InChIInChI=1S/C15H22ClN3O4S2/c16-13-1-5-15(6-2-13)25(22,23)19(14-3-4-14)11-12-24(20,21)18-9-7-17-8-10-18/h1-2,5-6,14,17H,3-4,7-12H2
InChIKeyMOICYOUMIYIASN-UHFFFAOYSA-N
XLogP0.73
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.95
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-chloro-N-cyclopropyl-N-(2-piperazin-1-ylsulfonylethyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-cyclopropyl-N-(2-piperazin-1-ylsulfonylethyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-cyclopropyl-N-(2-piperazin-1-ylsulfonylethyl)benzenesulfonamide (CID 20971312) is 4-chloro-N-cyclopropyl-N-(2-piperazin-1-ylsulfonylethyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-cyclopropyl-N-(2-piperazin-1-ylsulfonylethyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-cyclopropyl-N-(2-piperazin-1-ylsulfonylethyl)benzenesulfonamide is O=S(=O)(CCN(C1CC1)S(=O)(=O)c1ccc(Cl)cc1)N1CCNCC1.
What is the InChIKey of 4-chloro-N-cyclopropyl-N-(2-piperazin-1-ylsulfonylethyl)benzenesulfonamide?
The InChIKey is MOICYOUMIYIASN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O4S2/c16-13-1-5-15(6-2-13)25(22,23)19(14-3-4-14)11-12-24(20,21)18-9-7-17-8-10-18/h1-2,5-6,14,17H,3-4,7-12H2.
What are the key properties of 4-chloro-N-cyclopropyl-N-(2-piperazin-1-ylsulfonylethyl)benzenesulfonamide?
4-chloro-N-cyclopropyl-N-(2-piperazin-1-ylsulfonylethyl)benzenesulfonamide has a molecular weight of 407.95 g/mol, XLogP of 0.73, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-cyclopropyl-N-(2-piperazin-1-ylsulfonylethyl)benzenesulfonamide is sourced from PubChem (CID 20971312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).