N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

C14H11F2N3O3S2 — CID 8603622

IUPACN-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1
InChIInChI=1S/C14H11F2N3O3S2/c1-7-13(8(2)22-18-7)24(20,21)19-14-17-12(6-23-14)9-3-4-10(15)11(16)5-9/h3-6H,1-2H3,(H,17,19)
InChIKeyNGMNCMXQCUQMTC-UHFFFAOYSA-N
MW371.39 g/mol
LogP3.49
Rot. Bonds4

About N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 8603622) has the molecular formula C14H11F2N3O3S2 and a molecular weight of 371.39 g/mol. Its IUPAC name is N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID8603622
Molecular FormulaC14H11F2N3O3S2
Molecular Weight371.39 g/mol
Exact Mass371.02
IUPAC NameN-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1
InChIInChI=1S/C14H11F2N3O3S2/c1-7-13(8(2)22-18-7)24(20,21)19-14-17-12(6-23-14)9-3-4-10(15)11(16)5-9/h3-6H,1-2H3,(H,17,19)
InChIKeyNGMNCMXQCUQMTC-UHFFFAOYSA-N
XLogP3.49
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_F(1)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 8603622) is N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1.
What is the InChIKey of N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is NGMNCMXQCUQMTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2N3O3S2/c1-7-13(8(2)22-18-7)24(20,21)19-14-17-12(6-23-14)9-3-4-10(15)11(16)5-9/h3-6H,1-2H3,(H,17,19).
What are the key properties of N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 371.39 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 8603622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).