2-chloro-4-cyano-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide

C12H10ClN3O3S — CID 75475351

IUPAC2-chloro-4-cyano-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
SMILESCc1cnc(CNS(=O)(=O)c2ccc(C#N)cc2Cl)o1
InChIInChI=1S/C12H10ClN3O3S/c1-8-6-15-12(19-8)7-16-20(17,18)11-3-2-9(5-14)4-10(11)13/h2-4,6,16H,7H2,1H3
InChIKeyLNFIWCVMOJNSCV-UHFFFAOYSA-N
MW311.75 g/mol
LogP1.99
Rot. Bonds4

About 2-chloro-4-cyano-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide

2-chloro-4-cyano-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide (PubChem CID 75475351) has the molecular formula C12H10ClN3O3S and a molecular weight of 311.75 g/mol. Its IUPAC name is 2-chloro-4-cyano-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-4-cyano-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
PubChem CID75475351
Molecular FormulaC12H10ClN3O3S
Molecular Weight311.75 g/mol
Exact Mass311.01
IUPAC Name2-chloro-4-cyano-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
SMILESCc1cnc(CNS(=O)(=O)c2ccc(C#N)cc2Cl)o1
InChIInChI=1S/C12H10ClN3O3S/c1-8-6-15-12(19-8)7-16-20(17,18)11-3-2-9(5-14)4-10(11)13/h2-4,6,16H,7H2,1H3
InChIKeyLNFIWCVMOJNSCV-UHFFFAOYSA-N
XLogP1.99
TPSA95.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.75
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-4-cyano-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 103989194
2-chloro-4-cyano-N-(2,2-dimethylpropyl)benzenesulfonamide
CID 103989185
2-chloro-5-cyano-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide
CID 80704491
2-chloro-4-cyano-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 103989029
2-chloro-4-cyano-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide
CID 103989600
2-amino-5-chloro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 106369128
2-chloro-4-cyano-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
CID 103988889
2-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-4-nitrobenzenesulfonamide
CID 106376760
2-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 113463209
2-chloro-4-cyano-N-(2-ethoxy-2-methylpropyl)benzenesulfonamide
CID 114942473
2-bromo-4-(hydroxymethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 106377879
2-chloro-4-[(5-methyl-1,3-oxazol-2-yl)methylsulfamoyl]benzoic acid
CID 104654766

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-cyano-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 2-chloro-4-cyano-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide (CID 75475351) is 2-chloro-4-cyano-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-4-cyano-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-4-cyano-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide is Cc1cnc(CNS(=O)(=O)c2ccc(C#N)cc2Cl)o1.
What is the InChIKey of 2-chloro-4-cyano-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide?
The InChIKey is LNFIWCVMOJNSCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O3S/c1-8-6-15-12(19-8)7-16-20(17,18)11-3-2-9(5-14)4-10(11)13/h2-4,6,16H,7H2,1H3.
What are the key properties of 2-chloro-4-cyano-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide?
2-chloro-4-cyano-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide has a molecular weight of 311.75 g/mol, XLogP of 1.99, 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-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 75475351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).