2-(difluoromethoxy)-N-(3-sulfamoylpropyl)benzamide

C11H14F2N2O4S — CID 61131710

IUPAC2-(difluoromethoxy)-N-(3-sulfamoylpropyl)benzamide
SMILESNS(=O)(=O)CCCNC(=O)c1ccccc1OC(F)F
InChIInChI=1S/C11H14F2N2O4S/c12-11(13)19-9-5-2-1-4-8(9)10(16)15-6-3-7-20(14,17)18/h1-2,4-5,11H,3,6-7H2,(H,15,16)(H2,14,17,18)
InChIKeyHVCROEJLFQUKPN-UHFFFAOYSA-N
MW308.31 g/mol
LogP0.70
Rot. Bonds7

About 2-(difluoromethoxy)-N-(3-sulfamoylpropyl)benzamide

2-(difluoromethoxy)-N-(3-sulfamoylpropyl)benzamide (PubChem CID 61131710) has the molecular formula C11H14F2N2O4S and a molecular weight of 308.31 g/mol. Its IUPAC name is 2-(difluoromethoxy)-N-(3-sulfamoylpropyl)benzamide.

Molecular Properties

Compound Name2-(difluoromethoxy)-N-(3-sulfamoylpropyl)benzamide
PubChem CID61131710
Molecular FormulaC11H14F2N2O4S
Molecular Weight308.31 g/mol
Exact Mass308.06
IUPAC Name2-(difluoromethoxy)-N-(3-sulfamoylpropyl)benzamide
SMILESNS(=O)(=O)CCCNC(=O)c1ccccc1OC(F)F
InChIInChI=1S/C11H14F2N2O4S/c12-11(13)19-9-5-2-1-4-8(9)10(16)15-6-3-7-20(14,17)18/h1-2,4-5,11H,3,6-7H2,(H,15,16)(H2,14,17,18)
InChIKeyHVCROEJLFQUKPN-UHFFFAOYSA-N
XLogP0.70
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.31
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromobutyl)-2-(difluoromethoxy)benzamide
CID 106845934
2-(difluoromethoxy)-N-(6-hydroxyhexyl)benzamide
CID 103918835
2-(difluoromethoxy)-N-propylbenzamide
CID 60654909
N-(4-bromopentyl)-2-(difluoromethoxy)benzamide
CID 106130417
2-(difluoromethoxy)-N-ethylbenzamide
CID 60644731
N-[3-(2-bromoethoxy)propyl]-2-(difluoromethoxy)benzamide
CID 106307192
N-[3-(4-bromopyrazol-1-yl)propyl]-2-(difluoromethoxy)benzamide
CID 19297512
2-(difluoromethoxy)-N-(3,3-diphenylpropyl)benzamide
CID 18225114
2-(difluoromethoxy)-N-[2-(2-fluorophenyl)ethyl]benzamide
CID 39709098
N-(2-amino-2-methylpropyl)-2-(difluoromethoxy)benzamide
CID 81482649
N-benzyl-2-(difluoromethoxy)benzamide
CID 40548463
2-(difluoromethoxy)-N-[4-(sulfamoylmethyl)phenyl]benzamide
CID 39977055

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-N-(3-sulfamoylpropyl)benzamide?
The IUPAC name of 2-(difluoromethoxy)-N-(3-sulfamoylpropyl)benzamide (CID 61131710) is 2-(difluoromethoxy)-N-(3-sulfamoylpropyl)benzamide.
What is the SMILES notation for 2-(difluoromethoxy)-N-(3-sulfamoylpropyl)benzamide?
The canonical SMILES for 2-(difluoromethoxy)-N-(3-sulfamoylpropyl)benzamide is NS(=O)(=O)CCCNC(=O)c1ccccc1OC(F)F.
What is the InChIKey of 2-(difluoromethoxy)-N-(3-sulfamoylpropyl)benzamide?
The InChIKey is HVCROEJLFQUKPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O4S/c12-11(13)19-9-5-2-1-4-8(9)10(16)15-6-3-7-20(14,17)18/h1-2,4-5,11H,3,6-7H2,(H,15,16)(H2,14,17,18).
What are the key properties of 2-(difluoromethoxy)-N-(3-sulfamoylpropyl)benzamide?
2-(difluoromethoxy)-N-(3-sulfamoylpropyl)benzamide has a molecular weight of 308.31 g/mol, XLogP of 0.70, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-N-(3-sulfamoylpropyl)benzamide is sourced from PubChem (CID 61131710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).