N-(3,5-difluorophenyl)-3-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide

C17H16F2N2O5S2 — CID 24598177

IUPACN-(3,5-difluorophenyl)-3-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide
SMILESO=C(Nc1cc(F)cc(F)c1)c1cccc(S(=O)(=O)NC2CCS(=O)(=O)C2)c1
InChIInChI=1S/C17H16F2N2O5S2/c18-12-7-13(19)9-15(8-12)20-17(22)11-2-1-3-16(6-11)28(25,26)21-14-4-5-27(23,24)10-14/h1-3,6-9,14,21H,4-5,10H2,(H,20,22)
InChIKeyQVLMSBJTIRTQGB-UHFFFAOYSA-N
MW430.45 g/mol
LogP1.68
Rot. Bonds5

About N-(3,5-difluorophenyl)-3-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide

N-(3,5-difluorophenyl)-3-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide (PubChem CID 24598177) has the molecular formula C17H16F2N2O5S2 and a molecular weight of 430.45 g/mol. Its IUPAC name is N-(3,5-difluorophenyl)-3-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(3,5-difluorophenyl)-3-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide
PubChem CID24598177
Molecular FormulaC17H16F2N2O5S2
Molecular Weight430.45 g/mol
Exact Mass430.05
IUPAC NameN-(3,5-difluorophenyl)-3-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide
SMILESO=C(Nc1cc(F)cc(F)c1)c1cccc(S(=O)(=O)NC2CCS(=O)(=O)C2)c1
InChIInChI=1S/C17H16F2N2O5S2/c18-12-7-13(19)9-15(8-12)20-17(22)11-2-1-3-16(6-11)28(25,26)21-14-4-5-27(23,24)10-14/h1-3,6-9,14,21H,4-5,10H2,(H,20,22)
InChIKeyQVLMSBJTIRTQGB-UHFFFAOYSA-N
XLogP1.68
TPSA109.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.45
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(4-fluoro-3-methylphenyl)benzamide
CID 90075154
3-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(3-methylsulfanylphenyl)benzamide
CID 24536263
3-[[(3S)-1,1-dioxothiolan-3-yl]sulfamoyl]-N-pyridin-3-ylbenzamide
CID 25329934
N-cyclopentyl-3-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide
CID 109063223
3-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide
CID 24564536
3-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(2-propan-2-ylphenyl)benzamide
CID 22829683
N-benzhydryl-3-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide
CID 24536401
3-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(4-ethoxy-3-methoxyphenyl)benzamide
CID 24571136
N-[4-[[(3R)-1,1-dioxothiolan-3-yl]sulfamoyl]phenyl]-3-pyrrol-1-ylbenzamide
CID 40795878
N-[3-(cyclopropylsulfamoyl)phenyl]-3-fluorobenzamide
CID 17404523
3-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(1-propylbenzimidazol-2-yl)benzamide
CID 24601105
N-[(3S)-1,1-dioxothiolan-3-yl]benzenesulfonamide
CID 2407943

Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluorophenyl)-3-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide?
The IUPAC name of N-(3,5-difluorophenyl)-3-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide (CID 24598177) is N-(3,5-difluorophenyl)-3-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide.
What is the SMILES notation for N-(3,5-difluorophenyl)-3-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide?
The canonical SMILES for N-(3,5-difluorophenyl)-3-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide is O=C(Nc1cc(F)cc(F)c1)c1cccc(S(=O)(=O)NC2CCS(=O)(=O)C2)c1.
What is the InChIKey of N-(3,5-difluorophenyl)-3-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide?
The InChIKey is QVLMSBJTIRTQGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2O5S2/c18-12-7-13(19)9-15(8-12)20-17(22)11-2-1-3-16(6-11)28(25,26)21-14-4-5-27(23,24)10-14/h1-3,6-9,14,21H,4-5,10H2,(H,20,22).
What are the key properties of N-(3,5-difluorophenyl)-3-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide?
N-(3,5-difluorophenyl)-3-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide has a molecular weight of 430.45 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluorophenyl)-3-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide is sourced from PubChem (CID 24598177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).