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

C14H11BrN2O3S2 — CID 50835152

IUPACN-(3-bromophenyl)-4-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide
SMILESCc1cc(-c2csc(S(=O)(=O)Nc3cccc(Br)c3)c2)on1
InChIInChI=1S/C14H11BrN2O3S2/c1-9-5-13(20-16-9)10-6-14(21-8-10)22(18,19)17-12-4-2-3-11(15)7-12/h2-8,17H,1H3
InChIKeyNJSRRLCHGPIJJZ-UHFFFAOYSA-N
MW399.29 g/mol
LogP4.27
Rot. Bonds4

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

N-(3-bromophenyl)-4-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide (PubChem CID 50835152) has the molecular formula C14H11BrN2O3S2 and a molecular weight of 399.29 g/mol. Its IUPAC name is N-(3-bromophenyl)-4-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-4-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide
PubChem CID50835152
Molecular FormulaC14H11BrN2O3S2
Molecular Weight399.29 g/mol
Exact Mass397.94
IUPAC NameN-(3-bromophenyl)-4-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide
SMILESCc1cc(-c2csc(S(=O)(=O)Nc3cccc(Br)c3)c2)on1
InChIInChI=1S/C14H11BrN2O3S2/c1-9-5-13(20-16-9)10-6-14(21-8-10)22(18,19)17-12-4-2-3-11(15)7-12/h2-8,17H,1H3
InChIKeyNJSRRLCHGPIJJZ-UHFFFAOYSA-N
XLogP4.27
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.29
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclooctyl-4-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 46393013
N-(3-chlorophenyl)-4-(1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 51043927
N-(3-ethylphenyl)-4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophene-2-sulfonamide
CID 46380254
4-(3-ethyl-1,2-oxazol-5-yl)-N-(4-ethylphenyl)thiophene-2-sulfonamide
CID 46393030
ethyl 3-[[5-(3-methyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonylamino]benzoate
CID 20936192
4-(3-methyl-1,2-oxazol-5-yl)-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-2-sulfonamide
CID 46393018
2-ethyl-N-(3-ethylphenyl)-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 20936387
N-(3-acetylphenyl)-2-ethyl-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 20936379
N-(3-acetylphenyl)-4-(1-methyl-6-oxopyridazin-3-yl)thiophene-2-sulfonamide
CID 53135003
ethyl 4-[[4-(3-ethyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonylamino]benzoate
CID 50835221
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

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-4-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide?
The IUPAC name of N-(3-bromophenyl)-4-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide (CID 50835152) is N-(3-bromophenyl)-4-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(3-bromophenyl)-4-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-(3-bromophenyl)-4-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide is Cc1cc(-c2csc(S(=O)(=O)Nc3cccc(Br)c3)c2)on1.
What is the InChIKey of N-(3-bromophenyl)-4-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide?
The InChIKey is NJSRRLCHGPIJJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2O3S2/c1-9-5-13(20-16-9)10-6-14(21-8-10)22(18,19)17-12-4-2-3-11(15)7-12/h2-8,17H,1H3.
What are the key properties of N-(3-bromophenyl)-4-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide?
N-(3-bromophenyl)-4-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide has a molecular weight of 399.29 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-4-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 50835152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).