1-(3,5-difluorophenyl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methanesulfonamide

C17H14F2N2O2S2 — CID 122286051

IUPAC1-(3,5-difluorophenyl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methanesulfonamide
SMILESCc1nc(-c2cccc(NS(=O)(=O)Cc3cc(F)cc(F)c3)c2)cs1
InChIInChI=1S/C17H14F2N2O2S2/c1-11-20-17(9-24-11)13-3-2-4-16(7-13)21-25(22,23)10-12-5-14(18)8-15(19)6-12/h2-9,21H,10H2,1H3
InChIKeyQBWVGJHCGFAMJK-UHFFFAOYSA-N
MW380.44 g/mol
LogP4.34
Rot. Bonds5

About 1-(3,5-difluorophenyl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methanesulfonamide

1-(3,5-difluorophenyl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methanesulfonamide (PubChem CID 122286051) has the molecular formula C17H14F2N2O2S2 and a molecular weight of 380.44 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methanesulfonamide.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methanesulfonamide
PubChem CID122286051
Molecular FormulaC17H14F2N2O2S2
Molecular Weight380.44 g/mol
Exact Mass380.05
IUPAC Name1-(3,5-difluorophenyl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methanesulfonamide
SMILESCc1nc(-c2cccc(NS(=O)(=O)Cc3cc(F)cc(F)c3)c2)cs1
InChIInChI=1S/C17H14F2N2O2S2/c1-11-20-17(9-24-11)13-3-2-4-16(7-13)21-25(22,23)10-12-5-14(18)8-15(19)6-12/h2-9,21H,10H2,1H3
InChIKeyQBWVGJHCGFAMJK-UHFFFAOYSA-N
XLogP4.34
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
CID 122286053
2-methyl-4-[3-(sulfamoylamino)phenyl]-1,3-thiazole
CID 112573268
2,5-difluoro-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 9240048
4-fluoro-2-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 24656453
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 684183
3,5-dimethyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1H-pyrazole-4-sulfonamide
CID 8002125
3-[4-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfamoyl]phenyl]propanoate
CID 8002269
2-amino-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 43218994
1-ethyl-3,5-dimethyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrazole-4-sulfonamide
CID 122286063
2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 100797241
3-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinoline-8-sulfonamide
CID 31046759
6-(3,5-difluorophenyl)-2-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]pyridazin-3-one
CID 59534559

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methanesulfonamide?
The IUPAC name of 1-(3,5-difluorophenyl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methanesulfonamide (CID 122286051) is 1-(3,5-difluorophenyl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methanesulfonamide.
What is the SMILES notation for 1-(3,5-difluorophenyl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methanesulfonamide?
The canonical SMILES for 1-(3,5-difluorophenyl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methanesulfonamide is Cc1nc(-c2cccc(NS(=O)(=O)Cc3cc(F)cc(F)c3)c2)cs1.
What is the InChIKey of 1-(3,5-difluorophenyl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methanesulfonamide?
The InChIKey is QBWVGJHCGFAMJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N2O2S2/c1-11-20-17(9-24-11)13-3-2-4-16(7-13)21-25(22,23)10-12-5-14(18)8-15(19)6-12/h2-9,21H,10H2,1H3.
What are the key properties of 1-(3,5-difluorophenyl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methanesulfonamide?
1-(3,5-difluorophenyl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methanesulfonamide has a molecular weight of 380.44 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methanesulfonamide is sourced from PubChem (CID 122286051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).