N-cyclopentyl-N-prop-2-enyl-4-propylbenzenesulfonamide

C17H25NO2S — CID 3782584

IUPACN-cyclopentyl-N-prop-2-enyl-4-propylbenzenesulfonamide
SMILESC=CCN(C1CCCC1)S(=O)(=O)c1ccc(CCC)cc1
InChIInChI=1S/C17H25NO2S/c1-3-7-15-10-12-17(13-11-15)21(19,20)18(14-4-2)16-8-5-6-9-16/h4,10-13,16H,2-3,5-9,14H2,1H3
InChIKeyOSIVYJKKRFHUFV-UHFFFAOYSA-N
MW307.46 g/mol
LogP3.76
Rot. Bonds7

About N-cyclopentyl-N-prop-2-enyl-4-propylbenzenesulfonamide

N-cyclopentyl-N-prop-2-enyl-4-propylbenzenesulfonamide (PubChem CID 3782584) has the molecular formula C17H25NO2S and a molecular weight of 307.46 g/mol. Its IUPAC name is N-cyclopentyl-N-prop-2-enyl-4-propylbenzenesulfonamide.

Molecular Properties

Compound NameN-cyclopentyl-N-prop-2-enyl-4-propylbenzenesulfonamide
PubChem CID3782584
Molecular FormulaC17H25NO2S
Molecular Weight307.46 g/mol
Exact Mass307.16
IUPAC NameN-cyclopentyl-N-prop-2-enyl-4-propylbenzenesulfonamide
SMILESC=CCN(C1CCCC1)S(=O)(=O)c1ccc(CCC)cc1
InChIInChI=1S/C17H25NO2S/c1-3-7-15-10-12-17(13-11-15)21(19,20)18(14-4-2)16-8-5-6-9-16/h4,10-13,16H,2-3,5-9,14H2,1H3
InChIKeyOSIVYJKKRFHUFV-UHFFFAOYSA-N
XLogP3.76
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromoethyl)-N-cyclobutyl-4-propylbenzenesulfonamide
CID 102873568
N-(2-bromoethyl)-N-cyclopropyl-4-propylbenzenesulfonamide
CID 80668225
4-(2-chloroethyl)-N-cyclopentyl-N-ethylbenzenesulfonamide
CID 43662724
3-amino-N-cyclopentyl-5-methyl-N-prop-2-enylbenzenesulfonamide
CID 61115680
N-cyclohexyl-2,3,4,5,6-pentamethyl-N-prop-2-enylbenzenesulfonamide
CID 3670403
N-(oxan-4-yl)-4-propyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 90554922
N-cyclopentyl-N-ethyl-4-ethylsulfonylbenzenesulfonamide
CID 87024719
N-cyclohexyl-2,3,5,6-tetramethyl-N-prop-2-enylbenzenesulfonamide
CID 3670404
N-(2-aminocyclohexyl)-N-methyl-4-propylbenzenesulfonamide
CID 102639359
N-methyl-4-propyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 55136438
N-cyclohex-2-en-1-yl-4-methyl-N-prop-2-enylbenzenesulfonamide
CID 15529725
5-bromo-N-cyclopentyl-4-methyl-N-prop-2-enylthiophene-2-sulfonamide
CID 79994736

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-prop-2-enyl-4-propylbenzenesulfonamide?
The IUPAC name of N-cyclopentyl-N-prop-2-enyl-4-propylbenzenesulfonamide (CID 3782584) is N-cyclopentyl-N-prop-2-enyl-4-propylbenzenesulfonamide.
What is the SMILES notation for N-cyclopentyl-N-prop-2-enyl-4-propylbenzenesulfonamide?
The canonical SMILES for N-cyclopentyl-N-prop-2-enyl-4-propylbenzenesulfonamide is C=CCN(C1CCCC1)S(=O)(=O)c1ccc(CCC)cc1.
What is the InChIKey of N-cyclopentyl-N-prop-2-enyl-4-propylbenzenesulfonamide?
The InChIKey is OSIVYJKKRFHUFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2S/c1-3-7-15-10-12-17(13-11-15)21(19,20)18(14-4-2)16-8-5-6-9-16/h4,10-13,16H,2-3,5-9,14H2,1H3.
What are the key properties of N-cyclopentyl-N-prop-2-enyl-4-propylbenzenesulfonamide?
N-cyclopentyl-N-prop-2-enyl-4-propylbenzenesulfonamide has a molecular weight of 307.46 g/mol, XLogP of 3.76, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-prop-2-enyl-4-propylbenzenesulfonamide is sourced from PubChem (CID 3782584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).