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

C13H15ClN2O4S — CID 106377845

IUPAC2-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-(hydroxymethyl)benzenesulfonamide
SMILESCCc1cnc(CNS(=O)(=O)c2cc(CO)ccc2Cl)o1
InChIInChI=1S/C13H15ClN2O4S/c1-2-10-6-15-13(20-10)7-16-21(18,19)12-5-9(8-17)3-4-11(12)14/h3-6,16-17H,2,7-8H2,1H3
InChIKeyVEKFEFXDHVPQBV-UHFFFAOYSA-N
MW330.79 g/mol
LogP1.86
Rot. Bonds6

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

2-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-(hydroxymethyl)benzenesulfonamide (PubChem CID 106377845) has the molecular formula C13H15ClN2O4S and a molecular weight of 330.79 g/mol. Its IUPAC name is 2-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-(hydroxymethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-(hydroxymethyl)benzenesulfonamide
PubChem CID106377845
Molecular FormulaC13H15ClN2O4S
Molecular Weight330.79 g/mol
Exact Mass330.04
IUPAC Name2-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-(hydroxymethyl)benzenesulfonamide
SMILESCCc1cnc(CNS(=O)(=O)c2cc(CO)ccc2Cl)o1
InChIInChI=1S/C13H15ClN2O4S/c1-2-10-6-15-13(20-10)7-16-21(18,19)12-5-9(8-17)3-4-11(12)14/h3-6,16-17H,2,7-8H2,1H3
InChIKeyVEKFEFXDHVPQBV-UHFFFAOYSA-N
XLogP1.86
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.79
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-fluoro-4-(hydroxymethyl)benzenesulfonamide
CID 106377860
3-amino-2,4-dichloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 106368958
5-amino-2-ethyl-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 106369002
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-(methylaminomethyl)benzenesulfonamide
CID 106373721
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-(methylaminomethyl)furan-2-sulfonamide
CID 106377727
2-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-fluorobenzenesulfonamide
CID 106368938
4-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-fluorobenzenesulfonamide
CID 106368906
5-amino-2-bromo-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 106369008
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106378067
4-bromo-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-fluorobenzenesulfonamide
CID 106543915
2-bromo-4-(hydroxymethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 106377879
4-(2-aminoethyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 106373743

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-(hydroxymethyl)benzenesulfonamide?
The IUPAC name of 2-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-(hydroxymethyl)benzenesulfonamide (CID 106377845) is 2-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-(hydroxymethyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-(hydroxymethyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-(hydroxymethyl)benzenesulfonamide is CCc1cnc(CNS(=O)(=O)c2cc(CO)ccc2Cl)o1.
What is the InChIKey of 2-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-(hydroxymethyl)benzenesulfonamide?
The InChIKey is VEKFEFXDHVPQBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O4S/c1-2-10-6-15-13(20-10)7-16-21(18,19)12-5-9(8-17)3-4-11(12)14/h3-6,16-17H,2,7-8H2,1H3.
What are the key properties of 2-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-(hydroxymethyl)benzenesulfonamide?
2-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-(hydroxymethyl)benzenesulfonamide has a molecular weight of 330.79 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-(hydroxymethyl)benzenesulfonamide is sourced from PubChem (CID 106377845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).