N-cyclopropyl-4-piperazin-1-ylsulfonylbenzenesulfonamide

C13H19N3O4S2 — CID 119961776

IUPACN-cyclopropyl-4-piperazin-1-ylsulfonylbenzenesulfonamide
SMILESO=S(=O)(NC1CC1)c1ccc(S(=O)(=O)N2CCNCC2)cc1
InChIInChI=1S/C13H19N3O4S2/c17-21(18,15-11-1-2-11)12-3-5-13(6-4-12)22(19,20)16-9-7-14-8-10-16/h3-6,11,14-15H,1-2,7-10H2
InChIKeyNJZIJHDYWZEPLD-UHFFFAOYSA-N
MW345.45 g/mol
LogP-0.28
Rot. Bonds5

About N-cyclopropyl-4-piperazin-1-ylsulfonylbenzenesulfonamide

N-cyclopropyl-4-piperazin-1-ylsulfonylbenzenesulfonamide (PubChem CID 119961776) has the molecular formula C13H19N3O4S2 and a molecular weight of 345.45 g/mol. Its IUPAC name is N-cyclopropyl-4-piperazin-1-ylsulfonylbenzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-4-piperazin-1-ylsulfonylbenzenesulfonamide
PubChem CID119961776
Molecular FormulaC13H19N3O4S2
Molecular Weight345.45 g/mol
Exact Mass345.08
IUPAC NameN-cyclopropyl-4-piperazin-1-ylsulfonylbenzenesulfonamide
SMILESO=S(=O)(NC1CC1)c1ccc(S(=O)(=O)N2CCNCC2)cc1
InChIInChI=1S/C13H19N3O4S2/c17-21(18,15-11-1-2-11)12-3-5-13(6-4-12)22(19,20)16-9-7-14-8-10-16/h3-6,11,14-15H,1-2,7-10H2
InChIKeyNJZIJHDYWZEPLD-UHFFFAOYSA-N
XLogP-0.28
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-cyclopropyl-4-piperazin-1-ylsulfonylbenzenesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

4-(4-aminopiperidin-1-yl)sulfonyl-N-cyclopropylbenzenesulfonamide
CID 119959258
N-cyclopropyl-4-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzenesulfonamide
CID 7130388
4-(azepan-1-ylsulfonyl)-N-cyclohexylbenzenesulfonamide
CID 1167072
N-cyclopropyl-4-(4-ethylpiperazin-1-yl)sulfonylbenzenesulfonamide
CID 1429249
4-(4-benzhydrylpiperazin-1-yl)sulfonyl-N-cyclopropylbenzenesulfonamide
CID 25040590
N-piperidin-4-yl-3-piperidin-1-ylsulfonylbenzenesulfonamide
CID 119960493
4-(3-aminopiperidin-1-yl)sulfonyl-N-cyclopropylbenzenesulfonamide;hydrochloride
CID 119959773
N-cyclopropyl-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzenesulfonamide
CID 1429255
N-cyclopropyl-4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 120996105
1-N-methyl-4-N-piperidin-4-ylbenzene-1,4-disulfonamide;hydrochloride
CID 120998885
cyclopropyl-(4-piperazin-1-ylsulfonylphenyl)methanone
CID 82165047
1-(4-methylphenyl)sulfonyl-1,4,7-triazonane;1,4,7-tris-(4-methylphenyl)sulfonyl-1,4,7-triazonane
CID 172867320

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-piperazin-1-ylsulfonylbenzenesulfonamide?
The IUPAC name of N-cyclopropyl-4-piperazin-1-ylsulfonylbenzenesulfonamide (CID 119961776) is N-cyclopropyl-4-piperazin-1-ylsulfonylbenzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-4-piperazin-1-ylsulfonylbenzenesulfonamide?
The canonical SMILES for N-cyclopropyl-4-piperazin-1-ylsulfonylbenzenesulfonamide is O=S(=O)(NC1CC1)c1ccc(S(=O)(=O)N2CCNCC2)cc1.
What is the InChIKey of N-cyclopropyl-4-piperazin-1-ylsulfonylbenzenesulfonamide?
The InChIKey is NJZIJHDYWZEPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4S2/c17-21(18,15-11-1-2-11)12-3-5-13(6-4-12)22(19,20)16-9-7-14-8-10-16/h3-6,11,14-15H,1-2,7-10H2.
What are the key properties of N-cyclopropyl-4-piperazin-1-ylsulfonylbenzenesulfonamide?
N-cyclopropyl-4-piperazin-1-ylsulfonylbenzenesulfonamide has a molecular weight of 345.45 g/mol, XLogP of -0.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-piperazin-1-ylsulfonylbenzenesulfonamide is sourced from PubChem (CID 119961776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).