N-butyl-4-(4-ethylpiperazine-1-carbonyl)-N-methylbenzenesulfonamide

C18H29N3O3S — CID 109060391

IUPACN-butyl-4-(4-ethylpiperazine-1-carbonyl)-N-methylbenzenesulfonamide
SMILESCCCCN(C)S(=O)(=O)c1ccc(C(=O)N2CCN(CC)CC2)cc1
InChIInChI=1S/C18H29N3O3S/c1-4-6-11-19(3)25(23,24)17-9-7-16(8-10-17)18(22)21-14-12-20(5-2)13-15-21/h7-10H,4-6,11-15H2,1-3H3
InChIKeyYHBBUIAUWISHBL-UHFFFAOYSA-N
MW367.52 g/mol
LogP1.88
Rot. Bonds7

About N-butyl-4-(4-ethylpiperazine-1-carbonyl)-N-methylbenzenesulfonamide

N-butyl-4-(4-ethylpiperazine-1-carbonyl)-N-methylbenzenesulfonamide (PubChem CID 109060391) has the molecular formula C18H29N3O3S and a molecular weight of 367.52 g/mol. Its IUPAC name is N-butyl-4-(4-ethylpiperazine-1-carbonyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-butyl-4-(4-ethylpiperazine-1-carbonyl)-N-methylbenzenesulfonamide
PubChem CID109060391
Molecular FormulaC18H29N3O3S
Molecular Weight367.52 g/mol
Exact Mass367.19
IUPAC NameN-butyl-4-(4-ethylpiperazine-1-carbonyl)-N-methylbenzenesulfonamide
SMILESCCCCN(C)S(=O)(=O)c1ccc(C(=O)N2CCN(CC)CC2)cc1
InChIInChI=1S/C18H29N3O3S/c1-4-6-11-19(3)25(23,24)17-9-7-16(8-10-17)18(22)21-14-12-20(5-2)13-15-21/h7-10H,4-6,11-15H2,1-3H3
InChIKeyYHBBUIAUWISHBL-UHFFFAOYSA-N
XLogP1.88
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.52
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-4-[4-(4,6-difluoro-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]-N-methylbenzenesulfonamide
CID 41116441
N-butyl-4-[butyl(methyl)sulfamoyl]-N-methylbenzamide
CID 109061421
N-butyl-4-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]-N-methylbenzenesulfonamide
CID 41115349
N-butyl-3-(4-formylpiperazine-1-carbonyl)-N-methylbenzenesulfonamide
CID 109064399
N-butyl-N-methyl-4-[4-(4-methylsulfanyl-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]benzenesulfonamide
CID 25319467
N-butyl-4-[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]-N-methylbenzenesulfonamide
CID 41116133
N-butyl-N-methyl-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 110677161
N-butyl-N-methyl-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 109063489
2-[4-[4-(dimethylsulfamoyl)benzoyl]piperazin-1-yl]-N,N-diethylacetamide
CID 24533336
ethyl 4-[4-(dimethylsulfamoyl)benzoyl]piperazine-1-carboxylate
CID 3308115
(4-aminophenyl)-(4-ethylpiperazin-1-yl)methanone;dihydrochloride
CID 119826621
4-chloro-N-methyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzenesulfonamide
CID 53278707

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-(4-ethylpiperazine-1-carbonyl)-N-methylbenzenesulfonamide?
The IUPAC name of N-butyl-4-(4-ethylpiperazine-1-carbonyl)-N-methylbenzenesulfonamide (CID 109060391) is N-butyl-4-(4-ethylpiperazine-1-carbonyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for N-butyl-4-(4-ethylpiperazine-1-carbonyl)-N-methylbenzenesulfonamide?
The canonical SMILES for N-butyl-4-(4-ethylpiperazine-1-carbonyl)-N-methylbenzenesulfonamide is CCCCN(C)S(=O)(=O)c1ccc(C(=O)N2CCN(CC)CC2)cc1.
What is the InChIKey of N-butyl-4-(4-ethylpiperazine-1-carbonyl)-N-methylbenzenesulfonamide?
The InChIKey is YHBBUIAUWISHBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3S/c1-4-6-11-19(3)25(23,24)17-9-7-16(8-10-17)18(22)21-14-12-20(5-2)13-15-21/h7-10H,4-6,11-15H2,1-3H3.
What are the key properties of N-butyl-4-(4-ethylpiperazine-1-carbonyl)-N-methylbenzenesulfonamide?
N-butyl-4-(4-ethylpiperazine-1-carbonyl)-N-methylbenzenesulfonamide has a molecular weight of 367.52 g/mol, XLogP of 1.88, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-(4-ethylpiperazine-1-carbonyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 109060391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).