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

C13H9ClN2O3S2 — CID 112503125

IUPACN-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1cc(-c2ccc(Cl)cc2)no1)c1cccs1
InChIInChI=1S/C13H9ClN2O3S2/c14-10-5-3-9(4-6-10)11-8-12(19-15-11)16-21(17,18)13-2-1-7-20-13/h1-8,16H
InChIKeyVVNJEDJSKGTPHY-UHFFFAOYSA-N
MW340.81 g/mol
LogP3.86
Rot. Bonds4

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

N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]thiophene-2-sulfonamide (PubChem CID 112503125) has the molecular formula C13H9ClN2O3S2 and a molecular weight of 340.81 g/mol. Its IUPAC name is N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]thiophene-2-sulfonamide
PubChem CID112503125
Molecular FormulaC13H9ClN2O3S2
Molecular Weight340.81 g/mol
Exact Mass339.97
IUPAC NameN-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1cc(-c2ccc(Cl)cc2)no1)c1cccs1
InChIInChI=1S/C13H9ClN2O3S2/c14-10-5-3-9(4-6-10)11-8-12(19-15-11)16-21(17,18)13-2-1-7-20-13/h1-8,16H
InChIKeyVVNJEDJSKGTPHY-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

1-(4-chlorophenyl)-N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methanesulfonamide
CID 112503135
N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-1,3-benzodioxole-5-sulfonamide
CID 112503122
N-[4,5-dichloro-2-[[4-(4-chlorophenyl)phenyl]sulfonylamino]phenyl]thiophene-2-sulfonamide
CID 67970196
N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]acetamide
CID 112503051
N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-2,6-dimethoxybenzamide
CID 112503065
N-(5-bromo-2-chlorophenyl)thiophene-2-sulfonamide
CID 55132063
N-[5-(4-chloroanilino)-2-pyridinyl]thiophene-2-sulfonamide
CID 113033430
N-[2-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]thiophene-2-sulfonamide
CID 110321684
N-(4-bromo-3-chlorophenyl)thiophene-2-sulfonamide
CID 2207523
N-[4,5-dichloro-2-[(2,5-dichlorophenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide
CID 67970539
N-(5-chloro-2-methylsulfinylphenyl)thiophene-2-sulfonamide
CID 67972821
N-[4-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]thiophene-2-sulfonamide
CID 46380545

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]thiophene-2-sulfonamide?
The IUPAC name of N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]thiophene-2-sulfonamide (CID 112503125) is N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]thiophene-2-sulfonamide is O=S(=O)(Nc1cc(-c2ccc(Cl)cc2)no1)c1cccs1.
What is the InChIKey of N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]thiophene-2-sulfonamide?
The InChIKey is VVNJEDJSKGTPHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2O3S2/c14-10-5-3-9(4-6-10)11-8-12(19-15-11)16-21(17,18)13-2-1-7-20-13/h1-8,16H.
What are the key properties of N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]thiophene-2-sulfonamide?
N-[3-(4-chlorophenyl)-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-(4-chlorophenyl)-1,2-oxazol-5-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 112503125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).