4-(2,3-dimethylpiperazine-1-carbonyl)-N-prop-2-enylbenzenesulfonamide

C16H23N3O3S — CID 120572157

IUPAC4-(2,3-dimethylpiperazine-1-carbonyl)-N-prop-2-enylbenzenesulfonamide
SMILESC=CCNS(=O)(=O)c1ccc(C(=O)N2CCNC(C)C2C)cc1
InChIInChI=1S/C16H23N3O3S/c1-4-9-18-23(21,22)15-7-5-14(6-8-15)16(20)19-11-10-17-12(2)13(19)3/h4-8,12-13,17-18H,1,9-11H2,2-3H3
InChIKeyGZUJNFKVOBPYBT-UHFFFAOYSA-N
MW337.45 g/mol
LogP0.97
Rot. Bonds5

About 4-(2,3-dimethylpiperazine-1-carbonyl)-N-prop-2-enylbenzenesulfonamide

4-(2,3-dimethylpiperazine-1-carbonyl)-N-prop-2-enylbenzenesulfonamide (PubChem CID 120572157) has the molecular formula C16H23N3O3S and a molecular weight of 337.45 g/mol. Its IUPAC name is 4-(2,3-dimethylpiperazine-1-carbonyl)-N-prop-2-enylbenzenesulfonamide.

Molecular Properties

Compound Name4-(2,3-dimethylpiperazine-1-carbonyl)-N-prop-2-enylbenzenesulfonamide
PubChem CID120572157
Molecular FormulaC16H23N3O3S
Molecular Weight337.45 g/mol
Exact Mass337.15
IUPAC Name4-(2,3-dimethylpiperazine-1-carbonyl)-N-prop-2-enylbenzenesulfonamide
SMILESC=CCNS(=O)(=O)c1ccc(C(=O)N2CCNC(C)C2C)cc1
InChIInChI=1S/C16H23N3O3S/c1-4-9-18-23(21,22)15-7-5-14(6-8-15)16(20)19-11-10-17-12(2)13(19)3/h4-8,12-13,17-18H,1,9-11H2,2-3H3
InChIKeyGZUJNFKVOBPYBT-UHFFFAOYSA-N
XLogP0.97
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-(3-methylpiperazine-1-carbonyl)-N-prop-2-enylbenzenesulfonamide
CID 119580645
4-(2,3-dimethylpiperazine-1-carbonyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 120570714
(2,3-dimethylpiperazin-1-yl)-(4-propan-2-ylsulfonylphenyl)methanone
CID 120570068
(2,3-dimethylpiperazin-1-yl)-(4-propan-2-ylsulfonylphenyl)methanone;hydrochloride
CID 120570067
4-(2,3-dimethylpiperazine-1-carbonyl)-N-(4-methylphenyl)benzenesulfonamide;hydrochloride
CID 120569814
N-[4-(2,3-dimethylpiperazine-1-carbonyl)phenyl]benzenesulfonamide;hydrochloride
CID 120571735
4-(prop-2-enylsulfamoyl)benzoic acid
CID 2512621
(2,3-dimethylpiperazin-1-yl)-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]methanone;hydrochloride
CID 120572727
4-[4-(prop-2-enylsulfamoyl)benzoyl]morpholine-3-carboxylic acid
CID 119215901
4-(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-N-prop-2-enylbenzenesulfonamide
CID 75429902
[4-(difluoromethylsulfonylmethyl)phenyl]-(2,3-dimethylpiperazin-1-yl)methanone
CID 120572482
(4-tert-butylphenyl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride
CID 120571764

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethylpiperazine-1-carbonyl)-N-prop-2-enylbenzenesulfonamide?
The IUPAC name of 4-(2,3-dimethylpiperazine-1-carbonyl)-N-prop-2-enylbenzenesulfonamide (CID 120572157) is 4-(2,3-dimethylpiperazine-1-carbonyl)-N-prop-2-enylbenzenesulfonamide.
What is the SMILES notation for 4-(2,3-dimethylpiperazine-1-carbonyl)-N-prop-2-enylbenzenesulfonamide?
The canonical SMILES for 4-(2,3-dimethylpiperazine-1-carbonyl)-N-prop-2-enylbenzenesulfonamide is C=CCNS(=O)(=O)c1ccc(C(=O)N2CCNC(C)C2C)cc1.
What is the InChIKey of 4-(2,3-dimethylpiperazine-1-carbonyl)-N-prop-2-enylbenzenesulfonamide?
The InChIKey is GZUJNFKVOBPYBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3S/c1-4-9-18-23(21,22)15-7-5-14(6-8-15)16(20)19-11-10-17-12(2)13(19)3/h4-8,12-13,17-18H,1,9-11H2,2-3H3.
What are the key properties of 4-(2,3-dimethylpiperazine-1-carbonyl)-N-prop-2-enylbenzenesulfonamide?
4-(2,3-dimethylpiperazine-1-carbonyl)-N-prop-2-enylbenzenesulfonamide has a molecular weight of 337.45 g/mol, XLogP of 0.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethylpiperazine-1-carbonyl)-N-prop-2-enylbenzenesulfonamide is sourced from PubChem (CID 120572157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).