4-(2-methylpiperazine-1-carbonyl)-N-(2-methylpropyl)benzenesulfonamide

C16H25N3O3S — CID 119472055

IUPAC4-(2-methylpiperazine-1-carbonyl)-N-(2-methylpropyl)benzenesulfonamide
SMILESCC(C)CNS(=O)(=O)c1ccc(C(=O)N2CCNCC2C)cc1
InChIInChI=1S/C16H25N3O3S/c1-12(2)10-18-23(21,22)15-6-4-14(5-7-15)16(20)19-9-8-17-11-13(19)3/h4-7,12-13,17-18H,8-11H2,1-3H3
InChIKeyRKWNNWXRHFGRAW-UHFFFAOYSA-N
MW339.46 g/mol
LogP1.05
Rot. Bonds5

About 4-(2-methylpiperazine-1-carbonyl)-N-(2-methylpropyl)benzenesulfonamide

4-(2-methylpiperazine-1-carbonyl)-N-(2-methylpropyl)benzenesulfonamide (PubChem CID 119472055) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is 4-(2-methylpiperazine-1-carbonyl)-N-(2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(2-methylpiperazine-1-carbonyl)-N-(2-methylpropyl)benzenesulfonamide
PubChem CID119472055
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC Name4-(2-methylpiperazine-1-carbonyl)-N-(2-methylpropyl)benzenesulfonamide
SMILESCC(C)CNS(=O)(=O)c1ccc(C(=O)N2CCNCC2C)cc1
InChIInChI=1S/C16H25N3O3S/c1-12(2)10-18-23(21,22)15-6-4-14(5-7-15)16(20)19-9-8-17-11-13(19)3/h4-7,12-13,17-18H,8-11H2,1-3H3
InChIKeyRKWNNWXRHFGRAW-UHFFFAOYSA-N
XLogP1.05
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-4-(2-methylpiperazine-1-carbonyl)benzenesulfonamide
CID 119470429
N-(2-methylpropyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 109058905
(4-cyclopentylsulfonylphenyl)-(2-methylpiperazin-1-yl)methanone
CID 119471707
(4-benzylsulfonylphenyl)-(2-methylpiperazin-1-yl)methanone
CID 119472214
N-[3-(2-methylpiperazine-1-carbonyl)phenyl]benzenesulfonamide
CID 119470172
(4-iodophenyl)-(2-methylpiperazin-1-yl)methanone
CID 62671877
(4-methylphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82705562
(4-cyclopentylsulfonylphenyl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119471706
4-[2-(aminomethyl)piperidine-1-carbonyl]-N-(2-methylpropyl)benzenesulfonamide
CID 119468208
(4-ethylphenyl)-[(2R)-2-methylpiperazin-1-yl]methanone
CID 82705638
4-[2-(1-aminoethyl)piperidine-1-carbonyl]-N-(2-methylpropyl)benzenesulfonamide
CID 119436332
4-(2-methylpropylsulfamoyl)benzoic acid
CID 611819

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpiperazine-1-carbonyl)-N-(2-methylpropyl)benzenesulfonamide?
The IUPAC name of 4-(2-methylpiperazine-1-carbonyl)-N-(2-methylpropyl)benzenesulfonamide (CID 119472055) is 4-(2-methylpiperazine-1-carbonyl)-N-(2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for 4-(2-methylpiperazine-1-carbonyl)-N-(2-methylpropyl)benzenesulfonamide?
The canonical SMILES for 4-(2-methylpiperazine-1-carbonyl)-N-(2-methylpropyl)benzenesulfonamide is CC(C)CNS(=O)(=O)c1ccc(C(=O)N2CCNCC2C)cc1.
What is the InChIKey of 4-(2-methylpiperazine-1-carbonyl)-N-(2-methylpropyl)benzenesulfonamide?
The InChIKey is RKWNNWXRHFGRAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-12(2)10-18-23(21,22)15-6-4-14(5-7-15)16(20)19-9-8-17-11-13(19)3/h4-7,12-13,17-18H,8-11H2,1-3H3.
What are the key properties of 4-(2-methylpiperazine-1-carbonyl)-N-(2-methylpropyl)benzenesulfonamide?
4-(2-methylpiperazine-1-carbonyl)-N-(2-methylpropyl)benzenesulfonamide has a molecular weight of 339.46 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpiperazine-1-carbonyl)-N-(2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 119472055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).