4-[(2-bromo-4,6-difluorophenyl)sulfonylamino]-N-methylbenzamide

C14H11BrF2N2O3S — CID 25342673

IUPAC4-[(2-bromo-4,6-difluorophenyl)sulfonylamino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(NS(=O)(=O)c2c(F)cc(F)cc2Br)cc1
InChIInChI=1S/C14H11BrF2N2O3S/c1-18-14(20)8-2-4-10(5-3-8)19-23(21,22)13-11(15)6-9(16)7-12(13)17/h2-7,19H,1H3,(H,18,20)
InChIKeyTVKRILNLEKFLNU-UHFFFAOYSA-N
MW405.22 g/mol
LogP2.89
Rot. Bonds4

About 4-[(2-bromo-4,6-difluorophenyl)sulfonylamino]-N-methylbenzamide

4-[(2-bromo-4,6-difluorophenyl)sulfonylamino]-N-methylbenzamide (PubChem CID 25342673) has the molecular formula C14H11BrF2N2O3S and a molecular weight of 405.22 g/mol. Its IUPAC name is 4-[(2-bromo-4,6-difluorophenyl)sulfonylamino]-N-methylbenzamide.

Molecular Properties

Compound Name4-[(2-bromo-4,6-difluorophenyl)sulfonylamino]-N-methylbenzamide
PubChem CID25342673
Molecular FormulaC14H11BrF2N2O3S
Molecular Weight405.22 g/mol
Exact Mass403.96
IUPAC Name4-[(2-bromo-4,6-difluorophenyl)sulfonylamino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(NS(=O)(=O)c2c(F)cc(F)cc2Br)cc1
InChIInChI=1S/C14H11BrF2N2O3S/c1-18-14(20)8-2-4-10(5-3-8)19-23(21,22)13-11(15)6-9(16)7-12(13)17/h2-7,19H,1H3,(H,18,20)
InChIKeyTVKRILNLEKFLNU-UHFFFAOYSA-N
XLogP2.89
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.22
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-4,6-difluoro-N-(4-methoxyphenyl)benzenesulfonamide
CID 40645404
4-[(3,4-difluorophenyl)sulfonylamino]-N-methylbenzamide
CID 25335198
2-bromo-4,6-difluoro-N-(3-methylphenyl)benzenesulfonamide
CID 26951704
2-bromo-4,6-difluoro-N-(6-fluoro-3-pyridinyl)benzenesulfonamide
CID 103775763
4-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-methylbenzamide
CID 47516564
2-bromo-N-(2,4-dibromophenyl)-4,6-difluorobenzenesulfonamide
CID 60640704
2-bromo-N-(2,5-dibromophenyl)-4,6-difluorobenzenesulfonamide
CID 63422484
2-bromo-N-(5-bromo-2-methylphenyl)-4,6-difluorobenzenesulfonamide
CID 60822685
2-bromo-4,6-difluoro-N-(2-methylphenyl)benzenesulfonamide
CID 26952261
N-[3-[(2-bromo-4,6-difluorophenyl)sulfonylamino]phenyl]furan-2-carboxamide
CID 25342623
5-[(2-bromo-4,6-difluorophenyl)sulfonylamino]thiophene-2-carboxylic acid
CID 43475078
2,4,6-trifluoro-N-[4-(hydroxymethyl)phenyl]benzenesulfonamide
CID 64794886

Frequently Asked Questions

What is the IUPAC name of 4-[(2-bromo-4,6-difluorophenyl)sulfonylamino]-N-methylbenzamide?
The IUPAC name of 4-[(2-bromo-4,6-difluorophenyl)sulfonylamino]-N-methylbenzamide (CID 25342673) is 4-[(2-bromo-4,6-difluorophenyl)sulfonylamino]-N-methylbenzamide.
What is the SMILES notation for 4-[(2-bromo-4,6-difluorophenyl)sulfonylamino]-N-methylbenzamide?
The canonical SMILES for 4-[(2-bromo-4,6-difluorophenyl)sulfonylamino]-N-methylbenzamide is CNC(=O)c1ccc(NS(=O)(=O)c2c(F)cc(F)cc2Br)cc1.
What is the InChIKey of 4-[(2-bromo-4,6-difluorophenyl)sulfonylamino]-N-methylbenzamide?
The InChIKey is TVKRILNLEKFLNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrF2N2O3S/c1-18-14(20)8-2-4-10(5-3-8)19-23(21,22)13-11(15)6-9(16)7-12(13)17/h2-7,19H,1H3,(H,18,20).
What are the key properties of 4-[(2-bromo-4,6-difluorophenyl)sulfonylamino]-N-methylbenzamide?
4-[(2-bromo-4,6-difluorophenyl)sulfonylamino]-N-methylbenzamide has a molecular weight of 405.22 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-bromo-4,6-difluorophenyl)sulfonylamino]-N-methylbenzamide is sourced from PubChem (CID 25342673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).