3-(1-hydroxyethyl)-N-(1,2-oxazol-4-yl)benzenesulfonamide

C11H12N2O4S — CID 62915619

IUPAC3-(1-hydroxyethyl)-N-(1,2-oxazol-4-yl)benzenesulfonamide
SMILESCC(O)c1cccc(S(=O)(=O)Nc2cnoc2)c1
InChIInChI=1S/C11H12N2O4S/c1-8(14)9-3-2-4-11(5-9)18(15,16)13-10-6-12-17-7-10/h2-8,13-14H,1H3
InChIKeyBYUBCOUEEUMCFN-UHFFFAOYSA-N
MW268.29 g/mol
LogP1.53
Rot. Bonds4

About 3-(1-hydroxyethyl)-N-(1,2-oxazol-4-yl)benzenesulfonamide

3-(1-hydroxyethyl)-N-(1,2-oxazol-4-yl)benzenesulfonamide (PubChem CID 62915619) has the molecular formula C11H12N2O4S and a molecular weight of 268.29 g/mol. Its IUPAC name is 3-(1-hydroxyethyl)-N-(1,2-oxazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-(1-hydroxyethyl)-N-(1,2-oxazol-4-yl)benzenesulfonamide
PubChem CID62915619
Molecular FormulaC11H12N2O4S
Molecular Weight268.29 g/mol
Exact Mass268.05
IUPAC Name3-(1-hydroxyethyl)-N-(1,2-oxazol-4-yl)benzenesulfonamide
SMILESCC(O)c1cccc(S(=O)(=O)Nc2cnoc2)c1
InChIInChI=1S/C11H12N2O4S/c1-8(14)9-3-2-4-11(5-9)18(15,16)13-10-6-12-17-7-10/h2-8,13-14H,1H3
InChIKeyBYUBCOUEEUMCFN-UHFFFAOYSA-N
XLogP1.53
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1-hydroxyethyl)-N-(4-iodophenyl)benzenesulfonamide
CID 43507196
3-amino-N-(1,2-oxazol-4-yl)benzenesulfonamide
CID 62903638
3-bromo-N-(1,2-oxazol-4-yl)benzenesulfonamide
CID 62399730
N-(1,2-oxazol-4-yl)benzenesulfonamide
CID 54340665
3-(1-hydroxyethyl)-N-thiophen-3-ylbenzenesulfonamide
CID 66354403
N-[4-(1-hydroxyethyl)phenyl]-3-methylbenzenesulfonamide
CID 43508584
N-(2,3-dichlorophenyl)-3-(1-hydroxyethyl)benzenesulfonamide
CID 43507509
N-(1,2-oxazol-4-yl)-4-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 62902953
3-(1-hydroxyethyl)-N-(1-phenylethyl)benzenesulfonamide
CID 43507304
3-(1-hydroxyethyl)-N-(2-methoxyphenyl)benzenesulfonamide
CID 42946409
N-(2,4-dichlorophenyl)-3-(1-hydroxyethyl)benzenesulfonamide
CID 43507327
N-(3-chloro-2-fluorophenyl)-3-(1-hydroxyethyl)benzenesulfonamide
CID 43507543

Frequently Asked Questions

What is the IUPAC name of 3-(1-hydroxyethyl)-N-(1,2-oxazol-4-yl)benzenesulfonamide?
The IUPAC name of 3-(1-hydroxyethyl)-N-(1,2-oxazol-4-yl)benzenesulfonamide (CID 62915619) is 3-(1-hydroxyethyl)-N-(1,2-oxazol-4-yl)benzenesulfonamide.
What is the SMILES notation for 3-(1-hydroxyethyl)-N-(1,2-oxazol-4-yl)benzenesulfonamide?
The canonical SMILES for 3-(1-hydroxyethyl)-N-(1,2-oxazol-4-yl)benzenesulfonamide is CC(O)c1cccc(S(=O)(=O)Nc2cnoc2)c1.
What is the InChIKey of 3-(1-hydroxyethyl)-N-(1,2-oxazol-4-yl)benzenesulfonamide?
The InChIKey is BYUBCOUEEUMCFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O4S/c1-8(14)9-3-2-4-11(5-9)18(15,16)13-10-6-12-17-7-10/h2-8,13-14H,1H3.
What are the key properties of 3-(1-hydroxyethyl)-N-(1,2-oxazol-4-yl)benzenesulfonamide?
3-(1-hydroxyethyl)-N-(1,2-oxazol-4-yl)benzenesulfonamide has a molecular weight of 268.29 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-hydroxyethyl)-N-(1,2-oxazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 62915619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).