2-chloro-4-cyano-N-(3-methyloxolan-3-yl)benzenesulfonamide

C12H13ClN2O3S — CID 75500304

IUPAC2-chloro-4-cyano-N-(3-methyloxolan-3-yl)benzenesulfonamide
SMILESCC1(NS(=O)(=O)c2ccc(C#N)cc2Cl)CCOC1
InChIInChI=1S/C12H13ClN2O3S/c1-12(4-5-18-8-12)15-19(16,17)11-3-2-9(7-14)6-10(11)13/h2-3,6,15H,4-5,8H2,1H3
InChIKeyUIQLWCSHVGWNNT-UHFFFAOYSA-N
MW300.77 g/mol
LogP1.67
Rot. Bonds3

About 2-chloro-4-cyano-N-(3-methyloxolan-3-yl)benzenesulfonamide

2-chloro-4-cyano-N-(3-methyloxolan-3-yl)benzenesulfonamide (PubChem CID 75500304) has the molecular formula C12H13ClN2O3S and a molecular weight of 300.77 g/mol. Its IUPAC name is 2-chloro-4-cyano-N-(3-methyloxolan-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-4-cyano-N-(3-methyloxolan-3-yl)benzenesulfonamide
PubChem CID75500304
Molecular FormulaC12H13ClN2O3S
Molecular Weight300.77 g/mol
Exact Mass300.03
IUPAC Name2-chloro-4-cyano-N-(3-methyloxolan-3-yl)benzenesulfonamide
SMILESCC1(NS(=O)(=O)c2ccc(C#N)cc2Cl)CCOC1
InChIInChI=1S/C12H13ClN2O3S/c1-12(4-5-18-8-12)15-19(16,17)11-3-2-9(7-14)6-10(11)13/h2-3,6,15H,4-5,8H2,1H3
InChIKeyUIQLWCSHVGWNNT-UHFFFAOYSA-N
XLogP1.67
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.77
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-cyano-2-methyl-N-(4-methyloxan-4-yl)benzenesulfonamide
CID 115756395
4-bromo-2-chloro-N-(3-methyloxan-3-yl)benzenesulfonamide
CID 103896531
2-chloro-5-cyano-N-(1-methylcyclobutyl)benzenesulfonamide
CID 113485512
3-cyano-N-(3-methyloxan-3-yl)benzenesulfonamide
CID 103896523
3-chloro-4-(methylaminomethyl)-N-(3-methyloxolan-3-yl)benzenesulfonamide
CID 107091654
2-chloro-4-cyano-N-[1-(oxolan-3-yl)ethyl]benzenesulfonamide
CID 103989534
3-methyl-3-(sulfamoylamino)oxolane
CID 115766552
2-chloro-4-cyano-N-(2,2-dimethylpropyl)benzenesulfonamide
CID 103989185
2-chloro-4-cyano-N-(2-methylphenyl)benzenesulfonamide
CID 103988459
2-chloro-4-cyano-N-[(2S)-1-hydroxypropan-2-yl]benzenesulfonamide
CID 103989875
2-amino-5-chloro-N-(3-methyloxolan-3-yl)pyridine-3-sulfonamide
CID 146122745
5,6-dichloro-N-(3-methyloxolan-3-yl)pyridine-3-sulfonamide
CID 115767149

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-cyano-N-(3-methyloxolan-3-yl)benzenesulfonamide?
The IUPAC name of 2-chloro-4-cyano-N-(3-methyloxolan-3-yl)benzenesulfonamide (CID 75500304) is 2-chloro-4-cyano-N-(3-methyloxolan-3-yl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-4-cyano-N-(3-methyloxolan-3-yl)benzenesulfonamide?
The canonical SMILES for 2-chloro-4-cyano-N-(3-methyloxolan-3-yl)benzenesulfonamide is CC1(NS(=O)(=O)c2ccc(C#N)cc2Cl)CCOC1.
What is the InChIKey of 2-chloro-4-cyano-N-(3-methyloxolan-3-yl)benzenesulfonamide?
The InChIKey is UIQLWCSHVGWNNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O3S/c1-12(4-5-18-8-12)15-19(16,17)11-3-2-9(7-14)6-10(11)13/h2-3,6,15H,4-5,8H2,1H3.
What are the key properties of 2-chloro-4-cyano-N-(3-methyloxolan-3-yl)benzenesulfonamide?
2-chloro-4-cyano-N-(3-methyloxolan-3-yl)benzenesulfonamide has a molecular weight of 300.77 g/mol, XLogP of 1.67, 3 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-(3-methyloxolan-3-yl)benzenesulfonamide is sourced from PubChem (CID 75500304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).