N-[3-(cyclopenten-1-yl)prop-2-ynyl]-N,4-dimethylbenzenesulfonamide

C16H19NO2S — CID 134855796

IUPACN-[3-(cyclopenten-1-yl)prop-2-ynyl]-N,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)CC#CC2=CCCC2)cc1
InChIInChI=1S/C16H19NO2S/c1-14-9-11-16(12-10-14)20(18,19)17(2)13-5-8-15-6-3-4-7-15/h6,9-12H,3-4,7,13H2,1-2H3
InChIKeyRRPIBIIYNAMASR-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.73
Rot. Bonds3

About N-[3-(cyclopenten-1-yl)prop-2-ynyl]-N,4-dimethylbenzenesulfonamide

N-[3-(cyclopenten-1-yl)prop-2-ynyl]-N,4-dimethylbenzenesulfonamide (PubChem CID 134855796) has the molecular formula C16H19NO2S and a molecular weight of 289.40 g/mol. Its IUPAC name is N-[3-(cyclopenten-1-yl)prop-2-ynyl]-N,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(cyclopenten-1-yl)prop-2-ynyl]-N,4-dimethylbenzenesulfonamide
PubChem CID134855796
Molecular FormulaC16H19NO2S
Molecular Weight289.40 g/mol
Exact Mass289.11
IUPAC NameN-[3-(cyclopenten-1-yl)prop-2-ynyl]-N,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)CC#CC2=CCCC2)cc1
InChIInChI=1S/C16H19NO2S/c1-14-9-11-16(12-10-14)20(18,19)17(2)13-5-8-15-6-3-4-7-15/h6,9-12H,3-4,7,13H2,1-2H3
InChIKeyRRPIBIIYNAMASR-UHFFFAOYSA-N
XLogP2.73
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(1-hydroxycyclobutyl)prop-2-ynyl]-N,4-dimethylbenzenesulfonamide
CID 102327104
methyl 4-[cyclopenten-1-ylmethyl-(4-methylphenyl)sulfonylamino]but-2-ynoate
CID 11256523
N,4-dimethyl-N-[2-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl-(4-methylphenyl)sulfonylamino]ethyl]benzenesulfonamide
CID 11767132
N-(2-aminoethyl)-N,4-dimethylbenzenesulfonamide
CID 10376490
N-(2-bromoprop-2-enyl)-N,4-dimethylbenzenesulfonamide
CID 121219829
N-(cyanomethyl)-4-iodo-N-methylbenzenesulfonamide
CID 3870406
N-(cyclobuten-1-yl)-4-methylbenzenesulfonohydrazide
CID 175535624
N-methyl-1-[methyl-(4-methylphenyl)sulfonylamino]methanamine oxide
CID 163689251
N,4-dimethyl-N-[[(2S)-oxiran-2-yl]methyl]benzenesulfonamide
CID 51673993
N-(3-hydroxypropyl)-N,4-dimethylbenzenesulfonamide
CID 11287998
(1Z)-1-(4-methylphenyl)sulfonylcyclododecene
CID 134942172
N-but-2-ynyl-N-(3-cyclohexylideneprop-2-enyl)-4-methylbenzenesulfonamide
CID 134867106

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopenten-1-yl)prop-2-ynyl]-N,4-dimethylbenzenesulfonamide?
The IUPAC name of N-[3-(cyclopenten-1-yl)prop-2-ynyl]-N,4-dimethylbenzenesulfonamide (CID 134855796) is N-[3-(cyclopenten-1-yl)prop-2-ynyl]-N,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[3-(cyclopenten-1-yl)prop-2-ynyl]-N,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-[3-(cyclopenten-1-yl)prop-2-ynyl]-N,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N(C)CC#CC2=CCCC2)cc1.
What is the InChIKey of N-[3-(cyclopenten-1-yl)prop-2-ynyl]-N,4-dimethylbenzenesulfonamide?
The InChIKey is RRPIBIIYNAMASR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2S/c1-14-9-11-16(12-10-14)20(18,19)17(2)13-5-8-15-6-3-4-7-15/h6,9-12H,3-4,7,13H2,1-2H3.
What are the key properties of N-[3-(cyclopenten-1-yl)prop-2-ynyl]-N,4-dimethylbenzenesulfonamide?
N-[3-(cyclopenten-1-yl)prop-2-ynyl]-N,4-dimethylbenzenesulfonamide has a molecular weight of 289.40 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopenten-1-yl)prop-2-ynyl]-N,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 134855796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).