N-cyclopentyl-5-methyl-2-piperazin-1-ylbenzenesulfonamide

C16H25N3O2S — CID 155201518

IUPACN-cyclopentyl-5-methyl-2-piperazin-1-ylbenzenesulfonamide
SMILESCc1ccc(N2CCNCC2)c(S(=O)(=O)NC2CCCC2)c1
InChIInChI=1S/C16H25N3O2S/c1-13-6-7-15(19-10-8-17-9-11-19)16(12-13)22(20,21)18-14-4-2-3-5-14/h6-7,12,14,17-18H,2-5,8-11H2,1H3
InChIKeyVAEFWGZTFYCYTA-UHFFFAOYSA-N
MW323.46 g/mol
LogP1.63
Rot. Bonds4

About N-cyclopentyl-5-methyl-2-piperazin-1-ylbenzenesulfonamide

N-cyclopentyl-5-methyl-2-piperazin-1-ylbenzenesulfonamide (PubChem CID 155201518) has the molecular formula C16H25N3O2S and a molecular weight of 323.46 g/mol. Its IUPAC name is N-cyclopentyl-5-methyl-2-piperazin-1-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-cyclopentyl-5-methyl-2-piperazin-1-ylbenzenesulfonamide
PubChem CID155201518
Molecular FormulaC16H25N3O2S
Molecular Weight323.46 g/mol
Exact Mass323.17
IUPAC NameN-cyclopentyl-5-methyl-2-piperazin-1-ylbenzenesulfonamide
SMILESCc1ccc(N2CCNCC2)c(S(=O)(=O)NC2CCCC2)c1
InChIInChI=1S/C16H25N3O2S/c1-13-6-7-15(19-10-8-17-9-11-19)16(12-13)22(20,21)18-14-4-2-3-5-14/h6-7,12,14,17-18H,2-5,8-11H2,1H3
InChIKeyVAEFWGZTFYCYTA-UHFFFAOYSA-N
XLogP1.63
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2-piperazin-1-ylbenzenesulfonamide
CID 43454625
calcium;hydride;5-methyl-2-piperazin-1-ylbenzenesulfonic acid
CID 173090379
N-cyclododecyl-2,4-dimethylbenzenesulfonamide
CID 19681945
2-bromo-4-methyl-N-piperidin-3-ylbenzenesulfonamide
CID 55204708
2-fluoro-5-methyl-N-[(3S)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 120716722
2-bromo-4-methyl-N-[(3S)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 120716767
N-cyclohexyl-5-[(2,5-dimethylphenyl)sulfonylamino]-2-piperazin-1-ylpyridine-3-carboxamide
CID 20972610
2-fluoro-4-methyl-N-[(3S)-piperidin-3-yl]benzenesulfonamide
CID 124625901
4-methyl-2-piperazin-1-ylbenzenesulfonic acid
CID 86209737
2-amino-N-cyclobutyl-4-methylbenzenesulfonamide
CID 62414526
N-cyclopentyl-2-methoxy-4-methylbenzenesulfonamide
CID 172906018
5-methyl-2-piperazin-1-ylaniline
CID 62137468

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-5-methyl-2-piperazin-1-ylbenzenesulfonamide?
The IUPAC name of N-cyclopentyl-5-methyl-2-piperazin-1-ylbenzenesulfonamide (CID 155201518) is N-cyclopentyl-5-methyl-2-piperazin-1-ylbenzenesulfonamide.
What is the SMILES notation for N-cyclopentyl-5-methyl-2-piperazin-1-ylbenzenesulfonamide?
The canonical SMILES for N-cyclopentyl-5-methyl-2-piperazin-1-ylbenzenesulfonamide is Cc1ccc(N2CCNCC2)c(S(=O)(=O)NC2CCCC2)c1.
What is the InChIKey of N-cyclopentyl-5-methyl-2-piperazin-1-ylbenzenesulfonamide?
The InChIKey is VAEFWGZTFYCYTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2S/c1-13-6-7-15(19-10-8-17-9-11-19)16(12-13)22(20,21)18-14-4-2-3-5-14/h6-7,12,14,17-18H,2-5,8-11H2,1H3.
What are the key properties of N-cyclopentyl-5-methyl-2-piperazin-1-ylbenzenesulfonamide?
N-cyclopentyl-5-methyl-2-piperazin-1-ylbenzenesulfonamide has a molecular weight of 323.46 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-5-methyl-2-piperazin-1-ylbenzenesulfonamide is sourced from PubChem (CID 155201518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).