N-[2-ethyl-4-(3-hydroxyprop-1-ynyl)phenyl]cyclopentanesulfonamide

C16H21NO3S — CID 105361534

IUPACN-[2-ethyl-4-(3-hydroxyprop-1-ynyl)phenyl]cyclopentanesulfonamide
SMILESCCc1cc(C#CCO)ccc1NS(=O)(=O)C1CCCC1
InChIInChI=1S/C16H21NO3S/c1-2-14-12-13(6-5-11-18)9-10-16(14)17-21(19,20)15-7-3-4-8-15/h9-10,12,15,17-18H,2-4,7-8,11H2,1H3
InChIKeyKGDPWUQWRNFQQD-UHFFFAOYSA-N
MW307.42 g/mol
LogP2.28
Rot. Bonds4

About N-[2-ethyl-4-(3-hydroxyprop-1-ynyl)phenyl]cyclopentanesulfonamide

N-[2-ethyl-4-(3-hydroxyprop-1-ynyl)phenyl]cyclopentanesulfonamide (PubChem CID 105361534) has the molecular formula C16H21NO3S and a molecular weight of 307.42 g/mol. Its IUPAC name is N-[2-ethyl-4-(3-hydroxyprop-1-ynyl)phenyl]cyclopentanesulfonamide.

Molecular Properties

Compound NameN-[2-ethyl-4-(3-hydroxyprop-1-ynyl)phenyl]cyclopentanesulfonamide
PubChem CID105361534
Molecular FormulaC16H21NO3S
Molecular Weight307.42 g/mol
Exact Mass307.12
IUPAC NameN-[2-ethyl-4-(3-hydroxyprop-1-ynyl)phenyl]cyclopentanesulfonamide
SMILESCCc1cc(C#CCO)ccc1NS(=O)(=O)C1CCCC1
InChIInChI=1S/C16H21NO3S/c1-2-14-12-13(6-5-11-18)9-10-16(14)17-21(19,20)15-7-3-4-8-15/h9-10,12,15,17-18H,2-4,7-8,11H2,1H3
InChIKeyKGDPWUQWRNFQQD-UHFFFAOYSA-N
XLogP2.28
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[3-ethyl-4-(ethylsulfamoylamino)phenyl]prop-2-yn-1-ol
CID 114812002
N-[4-(3-hydroxyprop-1-ynyl)phenyl]cyclohexanesulfonamide
CID 61058963
3-[3-ethyl-4-(propylsulfamoylamino)phenyl]prop-2-yn-1-ol
CID 114812000
N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]cyclopentanesulfonamide
CID 105361546
N-[4-(3-hydroxyprop-1-ynyl)phenyl]cyclopropanesulfonamide
CID 64553499
N-[3-(3-hydroxyprop-1-ynyl)-5-methylphenyl]cyclohexanesulfonamide
CID 107579037
N-[2-ethyl-4-(3-hydroxyprop-1-ynyl)phenyl]-1-methylcyclopentane-1-carboxamide
CID 81287490
N-[2-ethyl-4-(3-hydroxyprop-1-ynyl)phenyl]oxolane-3-carboxamide
CID 81293122
N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]methanesulfonamide
CID 60813247
N-[3-(3-hydroxyprop-1-ynyl)-4-methylphenyl]cyclohexanesulfonamide
CID 63334192
N-[5-(3-aminoprop-1-ynyl)-2-methylphenyl]cyclopropanesulfonamide
CID 64554330
N-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]-1-methylsulfonylmethanesulfonamide
CID 82834855

Frequently Asked Questions

What is the IUPAC name of N-[2-ethyl-4-(3-hydroxyprop-1-ynyl)phenyl]cyclopentanesulfonamide?
The IUPAC name of N-[2-ethyl-4-(3-hydroxyprop-1-ynyl)phenyl]cyclopentanesulfonamide (CID 105361534) is N-[2-ethyl-4-(3-hydroxyprop-1-ynyl)phenyl]cyclopentanesulfonamide.
What is the SMILES notation for N-[2-ethyl-4-(3-hydroxyprop-1-ynyl)phenyl]cyclopentanesulfonamide?
The canonical SMILES for N-[2-ethyl-4-(3-hydroxyprop-1-ynyl)phenyl]cyclopentanesulfonamide is CCc1cc(C#CCO)ccc1NS(=O)(=O)C1CCCC1.
What is the InChIKey of N-[2-ethyl-4-(3-hydroxyprop-1-ynyl)phenyl]cyclopentanesulfonamide?
The InChIKey is KGDPWUQWRNFQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3S/c1-2-14-12-13(6-5-11-18)9-10-16(14)17-21(19,20)15-7-3-4-8-15/h9-10,12,15,17-18H,2-4,7-8,11H2,1H3.
What are the key properties of N-[2-ethyl-4-(3-hydroxyprop-1-ynyl)phenyl]cyclopentanesulfonamide?
N-[2-ethyl-4-(3-hydroxyprop-1-ynyl)phenyl]cyclopentanesulfonamide has a molecular weight of 307.42 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-ethyl-4-(3-hydroxyprop-1-ynyl)phenyl]cyclopentanesulfonamide is sourced from PubChem (CID 105361534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).