3-fluoro-N-(4-fluoro-3-methylphenyl)-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide

C18H18F2N2O4S — CID 90075345

IUPAC3-fluoro-N-(4-fluoro-3-methylphenyl)-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide
SMILESCc1cc(NC(=O)c2cc(F)cc(S(=O)(=O)N[C@H]3CCOC3)c2)ccc1F
InChIInChI=1S/C18H18F2N2O4S/c1-11-6-14(2-3-17(11)20)21-18(23)12-7-13(19)9-16(8-12)27(24,25)22-15-4-5-26-10-15/h2-3,6-9,15,22H,4-5,10H2,1H3,(H,21,23)/t15-/m0/s1
InChIKeyFHRXTIAWHBCPBW-HNNXBMFYSA-N
MW396.42 g/mol
LogP2.59
Rot. Bonds5

About 3-fluoro-N-(4-fluoro-3-methylphenyl)-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide

3-fluoro-N-(4-fluoro-3-methylphenyl)-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide (PubChem CID 90075345) has the molecular formula C18H18F2N2O4S and a molecular weight of 396.42 g/mol. Its IUPAC name is 3-fluoro-N-(4-fluoro-3-methylphenyl)-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-(4-fluoro-3-methylphenyl)-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide
PubChem CID90075345
Molecular FormulaC18H18F2N2O4S
Molecular Weight396.42 g/mol
Exact Mass396.10
IUPAC Name3-fluoro-N-(4-fluoro-3-methylphenyl)-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide
SMILESCc1cc(NC(=O)c2cc(F)cc(S(=O)(=O)N[C@H]3CCOC3)c2)ccc1F
InChIInChI=1S/C18H18F2N2O4S/c1-11-6-14(2-3-17(11)20)21-18(23)12-7-13(19)9-16(8-12)27(24,25)22-15-4-5-26-10-15/h2-3,6-9,15,22H,4-5,10H2,1H3,(H,21,23)/t15-/m0/s1
InChIKeyFHRXTIAWHBCPBW-HNNXBMFYSA-N
XLogP2.59
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.42
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-5-[2-(4-fluoro-3-methylphenyl)acetyl]-N-[(3S)-oxolan-3-yl]benzenesulfonamide;sulfane
CID 160717742
2-fluoro-N-(4-fluoro-3-methylphenyl)-3-(oxolan-3-ylsulfamoyl)benzamide
CID 123506299
N-(2,4-difluoro-5-methylphenyl)-3-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide
CID 118396952
N-(4-fluoro-3-methylphenyl)-3-[[(1R,3S)-3-hydroxycyclopentyl]sulfamoyl]benzamide
CID 118380733
4-fluoro-3,5-dimethyl-N-[(3R)-oxolan-3-yl]benzenesulfonamide
CID 99819137
N-(4-fluoro-3-methylphenyl)-3-(pyrrolidin-3-ylsulfamoyl)benzamide
CID 90044723
N-(4-fluoro-3-methylphenyl)-1-[[(3S)-oxolan-3-yl]sulfamoyl]pyrrolidine-3-carboxamide
CID 140703463
3-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(4-fluoro-3-methylphenyl)benzamide
CID 90075154
N-(4-fluoro-3-methylphenyl)-3-[[(1S,2S)-2-hydroxycyclohexyl]sulfamoyl]benzamide
CID 90075233
N-(3,5-difluorophenyl)-2-methoxy-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide
CID 146237287
3-(4-fluoro-3-methylanilino)-N-[(3S)-oxolan-3-yl]imidazo[1,5-a]pyridine-6-sulfonamide;sulfane
CID 160695693
3-(ethylaminomethyl)-4-fluoro-N-(oxolan-3-yl)benzenesulfonamide
CID 106072571

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(4-fluoro-3-methylphenyl)-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide?
The IUPAC name of 3-fluoro-N-(4-fluoro-3-methylphenyl)-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide (CID 90075345) is 3-fluoro-N-(4-fluoro-3-methylphenyl)-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide.
What is the SMILES notation for 3-fluoro-N-(4-fluoro-3-methylphenyl)-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide?
The canonical SMILES for 3-fluoro-N-(4-fluoro-3-methylphenyl)-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide is Cc1cc(NC(=O)c2cc(F)cc(S(=O)(=O)N[C@H]3CCOC3)c2)ccc1F.
What is the InChIKey of 3-fluoro-N-(4-fluoro-3-methylphenyl)-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide?
The InChIKey is FHRXTIAWHBCPBW-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H18F2N2O4S/c1-11-6-14(2-3-17(11)20)21-18(23)12-7-13(19)9-16(8-12)27(24,25)22-15-4-5-26-10-15/h2-3,6-9,15,22H,4-5,10H2,1H3,(H,21,23)/t15-/m0/s1.
What are the key properties of 3-fluoro-N-(4-fluoro-3-methylphenyl)-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide?
3-fluoro-N-(4-fluoro-3-methylphenyl)-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide has a molecular weight of 396.42 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(4-fluoro-3-methylphenyl)-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide is sourced from PubChem (CID 90075345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).