2-chloro-4-cyano-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide

C11H8ClN3O3S — CID 103989600

IUPAC2-chloro-4-cyano-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NCc2ccon2)c(Cl)c1
InChIInChI=1S/C11H8ClN3O3S/c12-10-5-8(6-13)1-2-11(10)19(16,17)14-7-9-3-4-18-15-9/h1-5,14H,7H2
InChIKeyQRQGGRUEZSLAFE-UHFFFAOYSA-N
MW297.72 g/mol
LogP1.68
Rot. Bonds4

About 2-chloro-4-cyano-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide

2-chloro-4-cyano-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide (PubChem CID 103989600) has the molecular formula C11H8ClN3O3S and a molecular weight of 297.72 g/mol. Its IUPAC name is 2-chloro-4-cyano-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-4-cyano-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide
PubChem CID103989600
Molecular FormulaC11H8ClN3O3S
Molecular Weight297.72 g/mol
Exact Mass297.00
IUPAC Name2-chloro-4-cyano-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NCc2ccon2)c(Cl)c1
InChIInChI=1S/C11H8ClN3O3S/c12-10-5-8(6-13)1-2-11(10)19(16,17)14-7-9-3-4-18-15-9/h1-5,14H,7H2
InChIKeyQRQGGRUEZSLAFE-UHFFFAOYSA-N
XLogP1.68
TPSA95.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.72
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-5-fluoro-N-[1-(1,2-oxazol-3-yl)ethyl]benzenesulfonamide
CID 75400373
3-cyano-4-fluoro-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide
CID 79476889
2-cyano-3-fluoro-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide
CID 81170907
4-(aminomethyl)-2-fluoro-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide
CID 81173523
3-(aminomethyl)-5-chloro-2-fluoro-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide
CID 81173912
5-chloro-2-fluoro-3-(hydroxymethyl)-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide
CID 81174239
5-chloro-2-fluoro-3-(methylaminomethyl)-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide
CID 81177482
3-(aminomethyl)-4-chloro-5-fluoro-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide
CID 81456917
2-chloro-5-fluoro-N-[(1S)-1-(1,2-oxazol-3-yl)ethyl]benzenesulfonamide
CID 97257898
2-chloro-5-fluoro-N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]benzenesulfonamide
CID 97257899
4-(3-aminoprop-1-ynyl)-3-fluoro-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide
CID 107652796
4-(3-aminoprop-1-ynyl)-2-fluoro-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide
CID 116529581

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-cyano-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 2-chloro-4-cyano-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide (CID 103989600) is 2-chloro-4-cyano-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-4-cyano-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-4-cyano-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide is N#Cc1ccc(S(=O)(=O)NCc2ccon2)c(Cl)c1.
What is the InChIKey of 2-chloro-4-cyano-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide?
The InChIKey is QRQGGRUEZSLAFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN3O3S/c12-10-5-8(6-13)1-2-11(10)19(16,17)14-7-9-3-4-18-15-9/h1-5,14H,7H2.
What are the key properties of 2-chloro-4-cyano-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide?
2-chloro-4-cyano-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide has a molecular weight of 297.72 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-cyano-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 103989600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).