4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-naphthalen-1-ylbenzenesulfonamide

C22H18N2O3S — CID 164624850

IUPAC4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-naphthalen-1-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1cccc2ccccc12)c1ccc(-c2cnc(C3CC3)o2)cc1
InChIInChI=1S/C22H18N2O3S/c25-28(26,24-20-7-3-5-15-4-1-2-6-19(15)20)18-12-10-16(11-13-18)21-14-23-22(27-21)17-8-9-17/h1-7,10-14,17,24H,8-9H2
InChIKeyPSTDBBCLUVJKTA-UHFFFAOYSA-N
MW390.46 g/mol
LogP5.17
Rot. Bonds5

About 4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-naphthalen-1-ylbenzenesulfonamide

4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-naphthalen-1-ylbenzenesulfonamide (PubChem CID 164624850) has the molecular formula C22H18N2O3S and a molecular weight of 390.46 g/mol. Its IUPAC name is 4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-naphthalen-1-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-naphthalen-1-ylbenzenesulfonamide
PubChem CID164624850
Molecular FormulaC22H18N2O3S
Molecular Weight390.46 g/mol
Exact Mass390.10
IUPAC Name4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-naphthalen-1-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1cccc2ccccc12)c1ccc(-c2cnc(C3CC3)o2)cc1
InChIInChI=1S/C22H18N2O3S/c25-28(26,24-20-7-3-5-15-4-1-2-6-19(15)20)18-12-10-16(11-13-18)21-14-23-22(27-21)17-8-9-17/h1-7,10-14,17,24H,8-9H2
InChIKeyPSTDBBCLUVJKTA-UHFFFAOYSA-N
XLogP5.17
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.46
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chlorophenyl)-4-(2-cyclopropyl-1,3-oxazol-5-yl)benzenesulfonamide
CID 20959107
4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(3-methoxyphenyl)benzenesulfonamide
CID 20959047
4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 162394822
4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzenesulfonamide
CID 20959096
4-(2-cyclobutyl-1,3-oxazol-5-yl)benzenesulfonyl chloride
CID 56723881
6-chloro-N-naphthalen-1-ylpyridine-3-sulfonamide
CID 4729879
2-cyclopropyl-5-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-1,3-oxazole
CID 20959069
1-[4-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]sulfonyl-3,5-dihydro-2H-4,1-benzoxazepine
CID 134143621
N-(3-bromophenyl)-5-(2-cyclopropyl-1,3-oxazol-5-yl)-2-methylbenzenesulfonamide
CID 20959178
4-methyl-N-[2-(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide
CID 101406239
5-(2-cyclopentyl-1,3-oxazol-5-yl)-N-(2,3-dimethylphenyl)thiophene-2-sulfonamide
CID 53103093
N-[5-(benzenesulfonamido)naphthalen-1-yl]benzenesulfonamide
CID 3389796

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-naphthalen-1-ylbenzenesulfonamide?
The IUPAC name of 4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-naphthalen-1-ylbenzenesulfonamide (CID 164624850) is 4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-naphthalen-1-ylbenzenesulfonamide.
What is the SMILES notation for 4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-naphthalen-1-ylbenzenesulfonamide?
The canonical SMILES for 4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-naphthalen-1-ylbenzenesulfonamide is O=S(=O)(Nc1cccc2ccccc12)c1ccc(-c2cnc(C3CC3)o2)cc1.
What is the InChIKey of 4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-naphthalen-1-ylbenzenesulfonamide?
The InChIKey is PSTDBBCLUVJKTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O3S/c25-28(26,24-20-7-3-5-15-4-1-2-6-19(15)20)18-12-10-16(11-13-18)21-14-23-22(27-21)17-8-9-17/h1-7,10-14,17,24H,8-9H2.
What are the key properties of 4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-naphthalen-1-ylbenzenesulfonamide?
4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-naphthalen-1-ylbenzenesulfonamide has a molecular weight of 390.46 g/mol, XLogP of 5.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-naphthalen-1-ylbenzenesulfonamide is sourced from PubChem (CID 164624850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).