4-(4-ethylpiperazin-1-yl)sulfonyl-N,N-dimethylbenzenesulfonamide

C14H23N3O4S2 — CID 1168552

IUPAC4-(4-ethylpiperazin-1-yl)sulfonyl-N,N-dimethylbenzenesulfonamide
SMILESCCN1CCN(S(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2)CC1
InChIInChI=1S/C14H23N3O4S2/c1-4-16-9-11-17(12-10-16)23(20,21)14-7-5-13(6-8-14)22(18,19)15(2)3/h5-8H,4,9-12H2,1-3H3
InChIKeyZDABWOOGMJJIQK-UHFFFAOYSA-N
MW361.49 g/mol
LogP0.26
Rot. Bonds5

About 4-(4-ethylpiperazin-1-yl)sulfonyl-N,N-dimethylbenzenesulfonamide

4-(4-ethylpiperazin-1-yl)sulfonyl-N,N-dimethylbenzenesulfonamide (PubChem CID 1168552) has the molecular formula C14H23N3O4S2 and a molecular weight of 361.49 g/mol. Its IUPAC name is 4-(4-ethylpiperazin-1-yl)sulfonyl-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-(4-ethylpiperazin-1-yl)sulfonyl-N,N-dimethylbenzenesulfonamide
PubChem CID1168552
Molecular FormulaC14H23N3O4S2
Molecular Weight361.49 g/mol
Exact Mass361.11
IUPAC Name4-(4-ethylpiperazin-1-yl)sulfonyl-N,N-dimethylbenzenesulfonamide
SMILESCCN1CCN(S(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2)CC1
InChIInChI=1S/C14H23N3O4S2/c1-4-16-9-11-17(12-10-16)23(20,21)14-7-5-13(6-8-14)22(18,19)15(2)3/h5-8H,4,9-12H2,1-3H3
InChIKeyZDABWOOGMJJIQK-UHFFFAOYSA-N
XLogP0.26
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 50.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-4-piperidin-1-ylsulfonylbenzenesulfonamide
CID 859979
1-ethyl-4-(4-phenylphenyl)sulfonylpiperazine
CID 110757634
1-ethyl-4-(4-methoxyphenyl)sulfonylpiperazine
CID 843240
N-ethyl-4-(4-ethylpiperazin-1-yl)sulfonylaniline
CID 62149446
4-(4-cyclohexylpiperazin-1-yl)sulfonyl-N,N-dimethylbenzenesulfonamide
CID 1168545
N-cyclopropyl-4-(4-ethylpiperazin-1-yl)sulfonylbenzenesulfonamide
CID 1429249
5-(4-ethylpiperazin-1-yl)sulfonyl-2-hydroxybenzamide
CID 70847897
[5-(4-ethylpiperazin-1-yl)sulfonyl-2-pyridinyl]methanamine
CID 114613052
1-ethyl-4-[4-(2-methoxyphenoxy)phenyl]sulfonylpiperazine
CID 1190535
4-[(3-benzyl-1,3-diazinan-1-yl)sulfonyl]-N,N-dimethylbenzenesulfonamide
CID 43816589
3-(4-ethylpiperazin-1-yl)sulfonylbenzonitrile
CID 7975716
1-ethyl-4-(3-fluoro-4-methoxyphenyl)sulfonylpiperazine
CID 39730317

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylpiperazin-1-yl)sulfonyl-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 4-(4-ethylpiperazin-1-yl)sulfonyl-N,N-dimethylbenzenesulfonamide (CID 1168552) is 4-(4-ethylpiperazin-1-yl)sulfonyl-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-(4-ethylpiperazin-1-yl)sulfonyl-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 4-(4-ethylpiperazin-1-yl)sulfonyl-N,N-dimethylbenzenesulfonamide is CCN1CCN(S(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2)CC1.
What is the InChIKey of 4-(4-ethylpiperazin-1-yl)sulfonyl-N,N-dimethylbenzenesulfonamide?
The InChIKey is ZDABWOOGMJJIQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O4S2/c1-4-16-9-11-17(12-10-16)23(20,21)14-7-5-13(6-8-14)22(18,19)15(2)3/h5-8H,4,9-12H2,1-3H3.
What are the key properties of 4-(4-ethylpiperazin-1-yl)sulfonyl-N,N-dimethylbenzenesulfonamide?
4-(4-ethylpiperazin-1-yl)sulfonyl-N,N-dimethylbenzenesulfonamide has a molecular weight of 361.49 g/mol, XLogP of 0.26, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylpiperazin-1-yl)sulfonyl-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 1168552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).