4-[4-(2-cyanoethyl)piperazin-1-yl]sulfonyl-N,N-dimethylbenzenesulfonamide

C15H22N4O4S2 — CID 4117906

IUPAC4-[4-(2-cyanoethyl)piperazin-1-yl]sulfonyl-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(S(=O)(=O)N2CCN(CCC#N)CC2)cc1
InChIInChI=1S/C15H22N4O4S2/c1-17(2)24(20,21)14-4-6-15(7-5-14)25(22,23)19-12-10-18(11-13-19)9-3-8-16/h4-7H,3,9-13H2,1-2H3
InChIKeyPGVZSBOGDAEZNA-UHFFFAOYSA-N
MW386.50 g/mol
LogP0.16
Rot. Bonds6

About 4-[4-(2-cyanoethyl)piperazin-1-yl]sulfonyl-N,N-dimethylbenzenesulfonamide

4-[4-(2-cyanoethyl)piperazin-1-yl]sulfonyl-N,N-dimethylbenzenesulfonamide (PubChem CID 4117906) has the molecular formula C15H22N4O4S2 and a molecular weight of 386.50 g/mol. Its IUPAC name is 4-[4-(2-cyanoethyl)piperazin-1-yl]sulfonyl-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-[4-(2-cyanoethyl)piperazin-1-yl]sulfonyl-N,N-dimethylbenzenesulfonamide
PubChem CID4117906
Molecular FormulaC15H22N4O4S2
Molecular Weight386.50 g/mol
Exact Mass386.11
IUPAC Name4-[4-(2-cyanoethyl)piperazin-1-yl]sulfonyl-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(S(=O)(=O)N2CCN(CCC#N)CC2)cc1
InChIInChI=1S/C15H22N4O4S2/c1-17(2)24(20,21)14-4-6-15(7-5-14)25(22,23)19-12-10-18(11-13-19)9-3-8-16/h4-7H,3,9-13H2,1-2H3
InChIKeyPGVZSBOGDAEZNA-UHFFFAOYSA-N
XLogP0.16
TPSA101.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 50.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-cyanoethyl)piperazin-1-yl]sulfonyl-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 4-[4-(2-cyanoethyl)piperazin-1-yl]sulfonyl-N,N-dimethylbenzenesulfonamide (CID 4117906) is 4-[4-(2-cyanoethyl)piperazin-1-yl]sulfonyl-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-[4-(2-cyanoethyl)piperazin-1-yl]sulfonyl-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 4-[4-(2-cyanoethyl)piperazin-1-yl]sulfonyl-N,N-dimethylbenzenesulfonamide is CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N2CCN(CCC#N)CC2)cc1.
What is the InChIKey of 4-[4-(2-cyanoethyl)piperazin-1-yl]sulfonyl-N,N-dimethylbenzenesulfonamide?
The InChIKey is PGVZSBOGDAEZNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O4S2/c1-17(2)24(20,21)14-4-6-15(7-5-14)25(22,23)19-12-10-18(11-13-19)9-3-8-16/h4-7H,3,9-13H2,1-2H3.
What are the key properties of 4-[4-(2-cyanoethyl)piperazin-1-yl]sulfonyl-N,N-dimethylbenzenesulfonamide?
4-[4-(2-cyanoethyl)piperazin-1-yl]sulfonyl-N,N-dimethylbenzenesulfonamide has a molecular weight of 386.50 g/mol, XLogP of 0.16, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-cyanoethyl)piperazin-1-yl]sulfonyl-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 4117906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).