4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(2-methylsulfonylethyl)benzenesulfonamide

C15H18N2O5S2 — CID 162394822

IUPAC4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(2-methylsulfonylethyl)benzenesulfonamide
SMILESCS(=O)(=O)CCNS(=O)(=O)c1ccc(-c2cnc(C3CC3)o2)cc1
InChIInChI=1S/C15H18N2O5S2/c1-23(18,19)9-8-17-24(20,21)13-6-4-11(5-7-13)14-10-16-15(22-14)12-2-3-12/h4-7,10,12,17H,2-3,8-9H2,1H3
InChIKeyDNBBAMMCLNIKJW-UHFFFAOYSA-N
MW370.45 g/mol
LogP1.54
Rot. Bonds7

About 4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(2-methylsulfonylethyl)benzenesulfonamide

4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(2-methylsulfonylethyl)benzenesulfonamide (PubChem CID 162394822) has the molecular formula C15H18N2O5S2 and a molecular weight of 370.45 g/mol. Its IUPAC name is 4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(2-methylsulfonylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(2-methylsulfonylethyl)benzenesulfonamide
PubChem CID162394822
Molecular FormulaC15H18N2O5S2
Molecular Weight370.45 g/mol
Exact Mass370.07
IUPAC Name4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(2-methylsulfonylethyl)benzenesulfonamide
SMILESCS(=O)(=O)CCNS(=O)(=O)c1ccc(-c2cnc(C3CC3)o2)cc1
InChIInChI=1S/C15H18N2O5S2/c1-23(18,19)9-8-17-24(20,21)13-6-4-11(5-7-13)14-10-16-15(22-14)12-2-3-12/h4-7,10,12,17H,2-3,8-9H2,1H3
InChIKeyDNBBAMMCLNIKJW-UHFFFAOYSA-N
XLogP1.54
TPSA106.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(2,2-difluoroethyl)benzenesulfonamide
CID 162395831
4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-naphthalen-1-ylbenzenesulfonamide
CID 164624850
N-(2-chlorophenyl)-4-(2-cyclopropyl-1,3-oxazol-5-yl)benzenesulfonamide
CID 20959107
4-(2-cyclobutyl-1,3-oxazol-5-yl)benzenesulfonyl chloride
CID 56723881
4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzenesulfonamide
CID 20959096
N-(4-bromophenyl)-4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-methylbenzenesulfonamide
CID 164610048
N-(2-methoxyethyl)-4-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide
CID 20958826
N-(3-methoxypropyl)-4-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide
CID 20958850
N-(2-methylsulfonylethyl)benzenesulfonamide
CID 63090699
2-amino-N-(2-methylsulfonylethyl)pyrimidine-5-sulfonamide
CID 62162959
2-cyclopropyl-5-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-1,3-oxazole
CID 20959069
2-amino-N-[4-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]-2-methylpropanamide
CID 119292951

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(2-methylsulfonylethyl)benzenesulfonamide?
The IUPAC name of 4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(2-methylsulfonylethyl)benzenesulfonamide (CID 162394822) is 4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(2-methylsulfonylethyl)benzenesulfonamide.
What is the SMILES notation for 4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(2-methylsulfonylethyl)benzenesulfonamide?
The canonical SMILES for 4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(2-methylsulfonylethyl)benzenesulfonamide is CS(=O)(=O)CCNS(=O)(=O)c1ccc(-c2cnc(C3CC3)o2)cc1.
What is the InChIKey of 4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(2-methylsulfonylethyl)benzenesulfonamide?
The InChIKey is DNBBAMMCLNIKJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O5S2/c1-23(18,19)9-8-17-24(20,21)13-6-4-11(5-7-13)14-10-16-15(22-14)12-2-3-12/h4-7,10,12,17H,2-3,8-9H2,1H3.
What are the key properties of 4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(2-methylsulfonylethyl)benzenesulfonamide?
4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(2-methylsulfonylethyl)benzenesulfonamide has a molecular weight of 370.45 g/mol, XLogP of 1.54, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(2-methylsulfonylethyl)benzenesulfonamide is sourced from PubChem (CID 162394822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).