N-(3-chloro-4-fluorophenyl)-2,5-dimethyl-4-(1,2-oxazol-5-yl)thiophene-3-sulfonamide

C15H12ClFN2O3S2 — CID 53004934

IUPACN-(3-chloro-4-fluorophenyl)-2,5-dimethyl-4-(1,2-oxazol-5-yl)thiophene-3-sulfonamide
SMILESCc1sc(C)c(S(=O)(=O)Nc2ccc(F)c(Cl)c2)c1-c1ccno1
InChIInChI=1S/C15H12ClFN2O3S2/c1-8-14(13-5-6-18-22-13)15(9(2)23-8)24(20,21)19-10-3-4-12(17)11(16)7-10/h3-7,19H,1-2H3
InChIKeyWFTXQRHYERLLGJ-UHFFFAOYSA-N
MW386.86 g/mol
LogP4.61
Rot. Bonds4

About N-(3-chloro-4-fluorophenyl)-2,5-dimethyl-4-(1,2-oxazol-5-yl)thiophene-3-sulfonamide

N-(3-chloro-4-fluorophenyl)-2,5-dimethyl-4-(1,2-oxazol-5-yl)thiophene-3-sulfonamide (PubChem CID 53004934) has the molecular formula C15H12ClFN2O3S2 and a molecular weight of 386.86 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2,5-dimethyl-4-(1,2-oxazol-5-yl)thiophene-3-sulfonamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2,5-dimethyl-4-(1,2-oxazol-5-yl)thiophene-3-sulfonamide
PubChem CID53004934
Molecular FormulaC15H12ClFN2O3S2
Molecular Weight386.86 g/mol
Exact Mass386.00
IUPAC NameN-(3-chloro-4-fluorophenyl)-2,5-dimethyl-4-(1,2-oxazol-5-yl)thiophene-3-sulfonamide
SMILESCc1sc(C)c(S(=O)(=O)Nc2ccc(F)c(Cl)c2)c1-c1ccno1
InChIInChI=1S/C15H12ClFN2O3S2/c1-8-14(13-5-6-18-22-13)15(9(2)23-8)24(20,21)19-10-3-4-12(17)11(16)7-10/h3-7,19H,1-2H3
InChIKeyWFTXQRHYERLLGJ-UHFFFAOYSA-N
XLogP4.61
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.86
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2,5-dimethyl-4-(1,2-oxazol-5-yl)thiophene-3-sulfonamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2,5-dimethyl-4-(1,2-oxazol-5-yl)thiophene-3-sulfonamide (CID 53004934) is N-(3-chloro-4-fluorophenyl)-2,5-dimethyl-4-(1,2-oxazol-5-yl)thiophene-3-sulfonamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2,5-dimethyl-4-(1,2-oxazol-5-yl)thiophene-3-sulfonamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2,5-dimethyl-4-(1,2-oxazol-5-yl)thiophene-3-sulfonamide is Cc1sc(C)c(S(=O)(=O)Nc2ccc(F)c(Cl)c2)c1-c1ccno1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2,5-dimethyl-4-(1,2-oxazol-5-yl)thiophene-3-sulfonamide?
The InChIKey is WFTXQRHYERLLGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFN2O3S2/c1-8-14(13-5-6-18-22-13)15(9(2)23-8)24(20,21)19-10-3-4-12(17)11(16)7-10/h3-7,19H,1-2H3.
What are the key properties of N-(3-chloro-4-fluorophenyl)-2,5-dimethyl-4-(1,2-oxazol-5-yl)thiophene-3-sulfonamide?
N-(3-chloro-4-fluorophenyl)-2,5-dimethyl-4-(1,2-oxazol-5-yl)thiophene-3-sulfonamide has a molecular weight of 386.86 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2,5-dimethyl-4-(1,2-oxazol-5-yl)thiophene-3-sulfonamide is sourced from PubChem (CID 53004934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).