2-chloro-4-cyano-N-[1-(oxolan-3-yl)ethyl]benzenesulfonamide

C13H15ClN2O3S — CID 103989534

IUPAC2-chloro-4-cyano-N-[1-(oxolan-3-yl)ethyl]benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(C#N)cc1Cl)C1CCOC1
InChIInChI=1S/C13H15ClN2O3S/c1-9(11-4-5-19-8-11)16-20(17,18)13-3-2-10(7-15)6-12(13)14/h2-3,6,9,11,16H,4-5,8H2,1H3
InChIKeyRPNCWALYFPVIEQ-UHFFFAOYSA-N
MW314.79 g/mol
LogP1.91
Rot. Bonds4

About 2-chloro-4-cyano-N-[1-(oxolan-3-yl)ethyl]benzenesulfonamide

2-chloro-4-cyano-N-[1-(oxolan-3-yl)ethyl]benzenesulfonamide (PubChem CID 103989534) has the molecular formula C13H15ClN2O3S and a molecular weight of 314.79 g/mol. Its IUPAC name is 2-chloro-4-cyano-N-[1-(oxolan-3-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-4-cyano-N-[1-(oxolan-3-yl)ethyl]benzenesulfonamide
PubChem CID103989534
Molecular FormulaC13H15ClN2O3S
Molecular Weight314.79 g/mol
Exact Mass314.05
IUPAC Name2-chloro-4-cyano-N-[1-(oxolan-3-yl)ethyl]benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(C#N)cc1Cl)C1CCOC1
InChIInChI=1S/C13H15ClN2O3S/c1-9(11-4-5-19-8-11)16-20(17,18)13-3-2-10(7-15)6-12(13)14/h2-3,6,9,11,16H,4-5,8H2,1H3
InChIKeyRPNCWALYFPVIEQ-UHFFFAOYSA-N
XLogP1.91
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.79
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-4-cyano-N-(1-cyclopropylethyl)benzenesulfonamide
CID 103988900
3-chloro-4-cyano-N-[1-(oxolan-3-yl)ethyl]benzenesulfonamide
CID 115650641
2-chloro-5-cyano-N-(1-cyclopentylethyl)benzenesulfonamide
CID 80703898
3-cyano-N-[1-(oxan-4-yl)ethyl]benzenesulfonamide
CID 103768645
N-(2-amino-1-cyclopentylethyl)-2-chloro-4-cyanobenzenesulfonamide
CID 106737922
N-but-3-yn-2-yl-2-chloro-4-cyanobenzenesulfonamide
CID 114419165
4-bromo-2-fluoro-N-[1-(oxolan-3-yl)ethyl]benzenesulfonamide
CID 116528880
2-chloro-4-cyano-N-[(2S)-1-hydroxypropan-2-yl]benzenesulfonamide
CID 103989875
3-amino-5-chloro-2-methyl-N-[1-(oxolan-3-yl)ethyl]benzenesulfonamide
CID 114380331
2-chloro-4-cyano-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
CID 103988889
5-bromo-4-chloro-N-[1-(oxolan-3-yl)ethyl]thiophene-2-sulfonamide
CID 115685447
2-chloro-4-cyano-N-(1-methoxypropan-2-yl)benzenesulfonamide
CID 103988819

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-cyano-N-[1-(oxolan-3-yl)ethyl]benzenesulfonamide?
The IUPAC name of 2-chloro-4-cyano-N-[1-(oxolan-3-yl)ethyl]benzenesulfonamide (CID 103989534) is 2-chloro-4-cyano-N-[1-(oxolan-3-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-4-cyano-N-[1-(oxolan-3-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-4-cyano-N-[1-(oxolan-3-yl)ethyl]benzenesulfonamide is CC(NS(=O)(=O)c1ccc(C#N)cc1Cl)C1CCOC1.
What is the InChIKey of 2-chloro-4-cyano-N-[1-(oxolan-3-yl)ethyl]benzenesulfonamide?
The InChIKey is RPNCWALYFPVIEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O3S/c1-9(11-4-5-19-8-11)16-20(17,18)13-3-2-10(7-15)6-12(13)14/h2-3,6,9,11,16H,4-5,8H2,1H3.
What are the key properties of 2-chloro-4-cyano-N-[1-(oxolan-3-yl)ethyl]benzenesulfonamide?
2-chloro-4-cyano-N-[1-(oxolan-3-yl)ethyl]benzenesulfonamide has a molecular weight of 314.79 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-cyano-N-[1-(oxolan-3-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 103989534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).