3-(difluoromethyl)-N-(3-sulfamoylphenyl)benzamide

C14H12F2N2O3S — CID 175329442

IUPAC3-(difluoromethyl)-N-(3-sulfamoylphenyl)benzamide
SMILESNS(=O)(=O)c1cccc(NC(=O)c2cccc(C(F)F)c2)c1
InChIInChI=1S/C14H12F2N2O3S/c15-13(16)9-3-1-4-10(7-9)14(19)18-11-5-2-6-12(8-11)22(17,20)21/h1-8,13H,(H,18,19)(H2,17,20,21)
InChIKeyZXMHSZMYTKYGOS-UHFFFAOYSA-N
MW326.32 g/mol
LogP2.52
Rot. Bonds4

About 3-(difluoromethyl)-N-(3-sulfamoylphenyl)benzamide

3-(difluoromethyl)-N-(3-sulfamoylphenyl)benzamide (PubChem CID 175329442) has the molecular formula C14H12F2N2O3S and a molecular weight of 326.32 g/mol. Its IUPAC name is 3-(difluoromethyl)-N-(3-sulfamoylphenyl)benzamide.

Molecular Properties

Compound Name3-(difluoromethyl)-N-(3-sulfamoylphenyl)benzamide
PubChem CID175329442
Molecular FormulaC14H12F2N2O3S
Molecular Weight326.32 g/mol
Exact Mass326.05
IUPAC Name3-(difluoromethyl)-N-(3-sulfamoylphenyl)benzamide
SMILESNS(=O)(=O)c1cccc(NC(=O)c2cccc(C(F)F)c2)c1
InChIInChI=1S/C14H12F2N2O3S/c15-13(16)9-3-1-4-10(7-9)14(19)18-11-5-2-6-12(8-11)22(17,20)21/h1-8,13H,(H,18,19)(H2,17,20,21)
InChIKeyZXMHSZMYTKYGOS-UHFFFAOYSA-N
XLogP2.52
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.32
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-(3-sulfamoylphenyl)benzamide
CID 26580558
3-[(3-sulfamoylbenzoyl)amino]benzoic acid
CID 834338
4-hydrazinyl-N-(3-sulfamoylphenyl)benzamide
CID 62237100
3-amino-4-fluoro-N-(3-sulfamoylphenyl)benzamide
CID 43436961
4-(aminomethyl)-N-(3-sulfamoylphenyl)benzamide
CID 29030560
4-acetamido-N-(3-sulfamoylphenyl)benzamide
CID 4067351
molecular hydrogen;3-phenoxy-N-(3-sulfamoylphenyl)benzamide
CID 158388567
N-(3-sulfamoylphenyl)thiophene-3-carboxamide
CID 60656415
3-chloro-4-methyl-N-(3-sulfamoylphenyl)benzamide
CID 63195346
4-(chloromethyl)-N-(3-sulfamoylphenyl)benzamide
CID 61251224
N-pyridin-3-yl-3-sulfamoylbenzamide
CID 164627954
2,5-dihydroxy-N-(3-sulfamoylphenyl)benzamide
CID 107722283

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-N-(3-sulfamoylphenyl)benzamide?
The IUPAC name of 3-(difluoromethyl)-N-(3-sulfamoylphenyl)benzamide (CID 175329442) is 3-(difluoromethyl)-N-(3-sulfamoylphenyl)benzamide.
What is the SMILES notation for 3-(difluoromethyl)-N-(3-sulfamoylphenyl)benzamide?
The canonical SMILES for 3-(difluoromethyl)-N-(3-sulfamoylphenyl)benzamide is NS(=O)(=O)c1cccc(NC(=O)c2cccc(C(F)F)c2)c1.
What is the InChIKey of 3-(difluoromethyl)-N-(3-sulfamoylphenyl)benzamide?
The InChIKey is ZXMHSZMYTKYGOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N2O3S/c15-13(16)9-3-1-4-10(7-9)14(19)18-11-5-2-6-12(8-11)22(17,20)21/h1-8,13H,(H,18,19)(H2,17,20,21).
What are the key properties of 3-(difluoromethyl)-N-(3-sulfamoylphenyl)benzamide?
3-(difluoromethyl)-N-(3-sulfamoylphenyl)benzamide has a molecular weight of 326.32 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-N-(3-sulfamoylphenyl)benzamide is sourced from PubChem (CID 175329442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).