5-chloro-N-methyl-2-(5-propan-2-yl-1,2-oxazole-4-carbonyl)benzenesulfonamide

C14H15ClN2O4S — CID 67803983

IUPAC5-chloro-N-methyl-2-(5-propan-2-yl-1,2-oxazole-4-carbonyl)benzenesulfonamide
SMILESCNS(=O)(=O)c1cc(Cl)ccc1C(=O)c1cnoc1C(C)C
InChIInChI=1S/C14H15ClN2O4S/c1-8(2)14-11(7-17-21-14)13(18)10-5-4-9(15)6-12(10)22(19,20)16-3/h4-8,16H,1-3H3
InChIKeyUMUTWKOLOIKKDI-UHFFFAOYSA-N
MW342.80 g/mol
LogP2.59
Rot. Bonds5

About 5-chloro-N-methyl-2-(5-propan-2-yl-1,2-oxazole-4-carbonyl)benzenesulfonamide

5-chloro-N-methyl-2-(5-propan-2-yl-1,2-oxazole-4-carbonyl)benzenesulfonamide (PubChem CID 67803983) has the molecular formula C14H15ClN2O4S and a molecular weight of 342.80 g/mol. Its IUPAC name is 5-chloro-N-methyl-2-(5-propan-2-yl-1,2-oxazole-4-carbonyl)benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-N-methyl-2-(5-propan-2-yl-1,2-oxazole-4-carbonyl)benzenesulfonamide
PubChem CID67803983
Molecular FormulaC14H15ClN2O4S
Molecular Weight342.80 g/mol
Exact Mass342.04
IUPAC Name5-chloro-N-methyl-2-(5-propan-2-yl-1,2-oxazole-4-carbonyl)benzenesulfonamide
SMILESCNS(=O)(=O)c1cc(Cl)ccc1C(=O)c1cnoc1C(C)C
InChIInChI=1S/C14H15ClN2O4S/c1-8(2)14-11(7-17-21-14)13(18)10-5-4-9(15)6-12(10)22(19,20)16-3/h4-8,16H,1-3H3
InChIKeyUMUTWKOLOIKKDI-UHFFFAOYSA-N
XLogP2.59
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.80
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-chloro-3-(2-methoxyethoxy)-4-methylsulfonylphenyl]-(5-propan-2-yl-1,2-oxazol-4-yl)methanone
CID 54528386
(4-chloro-2-ethylsulfonylphenyl)-(5-cyclopropyl-1,2-oxazol-4-yl)methanone
CID 54042832
4-chloro-1-N,2-N-dimethylbenzene-1,2-disulfonamide
CID 124926790
(5-chloro-2-methylsulfonylphenyl)-(5-cyclopropyl-1,2-oxazol-4-yl)methanone
CID 54196821
(4-chloro-2-nitrophenyl)-(5-methyl-1,2-oxazol-4-yl)methanone
CID 54005429
methyl 2-(3-aminobutylsulfamoyl)-4-chlorobenzoate
CID 119972795
N-[4-[(2,5-dichlorophenyl)sulfonylamino]-3-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 55864253
N-[5-chloro-2-(5-cyclopropyl-1,2-oxazole-4-carbonyl)phenyl]-N-methylmethanesulfonamide
CID 22620945
2-benzoyl-5-chlorobenzenesulfonyl chloride
CID 154105826
N'-(2,5-dichlorophenyl)sulfonylacetohydrazide
CID 8500705
N-[5-chloro-2-(5-cyclopropyl-1,2-oxazole-4-carbonyl)phenyl]-N-ethylmethanesulfonamide
CID 22621084
CID 70601990
CID 70601990

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methyl-2-(5-propan-2-yl-1,2-oxazole-4-carbonyl)benzenesulfonamide?
The IUPAC name of 5-chloro-N-methyl-2-(5-propan-2-yl-1,2-oxazole-4-carbonyl)benzenesulfonamide (CID 67803983) is 5-chloro-N-methyl-2-(5-propan-2-yl-1,2-oxazole-4-carbonyl)benzenesulfonamide.
What is the SMILES notation for 5-chloro-N-methyl-2-(5-propan-2-yl-1,2-oxazole-4-carbonyl)benzenesulfonamide?
The canonical SMILES for 5-chloro-N-methyl-2-(5-propan-2-yl-1,2-oxazole-4-carbonyl)benzenesulfonamide is CNS(=O)(=O)c1cc(Cl)ccc1C(=O)c1cnoc1C(C)C.
What is the InChIKey of 5-chloro-N-methyl-2-(5-propan-2-yl-1,2-oxazole-4-carbonyl)benzenesulfonamide?
The InChIKey is UMUTWKOLOIKKDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O4S/c1-8(2)14-11(7-17-21-14)13(18)10-5-4-9(15)6-12(10)22(19,20)16-3/h4-8,16H,1-3H3.
What are the key properties of 5-chloro-N-methyl-2-(5-propan-2-yl-1,2-oxazole-4-carbonyl)benzenesulfonamide?
5-chloro-N-methyl-2-(5-propan-2-yl-1,2-oxazole-4-carbonyl)benzenesulfonamide has a molecular weight of 342.80 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methyl-2-(5-propan-2-yl-1,2-oxazole-4-carbonyl)benzenesulfonamide is sourced from PubChem (CID 67803983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).