N-(3-chlorophenyl)-4-(1,2-oxazol-5-yl)thiophene-2-sulfonamide

C13H9ClN2O3S2 — CID 51043927

IUPACN-(3-chlorophenyl)-4-(1,2-oxazol-5-yl)thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1cccc(Cl)c1)c1cc(-c2ccno2)cs1
InChIInChI=1S/C13H9ClN2O3S2/c14-10-2-1-3-11(7-10)16-21(17,18)13-6-9(8-20-13)12-4-5-15-19-12/h1-8,16H
InChIKeyXRYKMWXCGKMFDU-UHFFFAOYSA-N
MW340.81 g/mol
LogP3.86
Rot. Bonds4

About N-(3-chlorophenyl)-4-(1,2-oxazol-5-yl)thiophene-2-sulfonamide

N-(3-chlorophenyl)-4-(1,2-oxazol-5-yl)thiophene-2-sulfonamide (PubChem CID 51043927) has the molecular formula C13H9ClN2O3S2 and a molecular weight of 340.81 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-(1,2-oxazol-5-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4-(1,2-oxazol-5-yl)thiophene-2-sulfonamide
PubChem CID51043927
Molecular FormulaC13H9ClN2O3S2
Molecular Weight340.81 g/mol
Exact Mass339.97
IUPAC NameN-(3-chlorophenyl)-4-(1,2-oxazol-5-yl)thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1cccc(Cl)c1)c1cc(-c2ccno2)cs1
InChIInChI=1S/C13H9ClN2O3S2/c14-10-2-1-3-11(7-10)16-21(17,18)13-6-9(8-20-13)12-4-5-15-19-12/h1-8,16H
InChIKeyXRYKMWXCGKMFDU-UHFFFAOYSA-N
XLogP3.86
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1,2-oxazol-5-yl)-N-(4-sulfamoylphenyl)thiophene-2-sulfonamide
CID 46393001
N-(3-chlorophenyl)-4-(5-ethyl-1,3,4-oxadiazol-2-yl)thiophene-2-sulfonamide
CID 53127273
N-(3-chlorophenyl)-4-(1-methyl-6-oxopyridazin-3-yl)thiophene-2-sulfonamide
CID 53134966
N-(2-methoxyphenyl)-4-(1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 51048851
N-(3-chlorophenyl)-2-methyl-5-(1,2-oxazol-5-yl)furan-3-sulfonamide
CID 46292481
N-(3-chlorophenyl)-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 106060545
N-(3-chlorophenyl)-4-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-2-sulfonamide
CID 53126338
N-(3-bromophenyl)-4-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 50835152
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-phenylthiophene-2-sulfonamide
CID 53126847
N-(4-chlorophenyl)-4-(1H-pyrazol-5-yl)thiophene-2-sulfonamide
CID 53130896
N-(3-ethoxypropyl)-4-(1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 46393004
4,5-dibromo-N-(3-chlorophenyl)thiophene-2-sulfonamide
CID 3830186

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4-(1,2-oxazol-5-yl)thiophene-2-sulfonamide?
The IUPAC name of N-(3-chlorophenyl)-4-(1,2-oxazol-5-yl)thiophene-2-sulfonamide (CID 51043927) is N-(3-chlorophenyl)-4-(1,2-oxazol-5-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(3-chlorophenyl)-4-(1,2-oxazol-5-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-(3-chlorophenyl)-4-(1,2-oxazol-5-yl)thiophene-2-sulfonamide is O=S(=O)(Nc1cccc(Cl)c1)c1cc(-c2ccno2)cs1.
What is the InChIKey of N-(3-chlorophenyl)-4-(1,2-oxazol-5-yl)thiophene-2-sulfonamide?
The InChIKey is XRYKMWXCGKMFDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2O3S2/c14-10-2-1-3-11(7-10)16-21(17,18)13-6-9(8-20-13)12-4-5-15-19-12/h1-8,16H.
What are the key properties of N-(3-chlorophenyl)-4-(1,2-oxazol-5-yl)thiophene-2-sulfonamide?
N-(3-chlorophenyl)-4-(1,2-oxazol-5-yl)thiophene-2-sulfonamide has a molecular weight of 340.81 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-4-(1,2-oxazol-5-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 51043927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).