N-(4-bromo-2-fluorophenyl)-2-fluoro-4-methylsulfonylbenzamide

C14H10BrF2NO3S — CID 71257495

IUPACN-(4-bromo-2-fluorophenyl)-2-fluoro-4-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1ccc(C(=O)Nc2ccc(Br)cc2F)c(F)c1
InChIInChI=1S/C14H10BrF2NO3S/c1-22(20,21)9-3-4-10(11(16)7-9)14(19)18-13-5-2-8(15)6-12(13)17/h2-7H,1H3,(H,18,19)
InChIKeyHZWFHAFITTVULD-UHFFFAOYSA-N
MW390.21 g/mol
LogP3.38
Rot. Bonds3

About N-(4-bromo-2-fluorophenyl)-2-fluoro-4-methylsulfonylbenzamide

N-(4-bromo-2-fluorophenyl)-2-fluoro-4-methylsulfonylbenzamide (PubChem CID 71257495) has the molecular formula C14H10BrF2NO3S and a molecular weight of 390.21 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-2-fluoro-4-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-2-fluoro-4-methylsulfonylbenzamide
PubChem CID71257495
Molecular FormulaC14H10BrF2NO3S
Molecular Weight390.21 g/mol
Exact Mass388.95
IUPAC NameN-(4-bromo-2-fluorophenyl)-2-fluoro-4-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1ccc(C(=O)Nc2ccc(Br)cc2F)c(F)c1
InChIInChI=1S/C14H10BrF2NO3S/c1-22(20,21)9-3-4-10(11(16)7-9)14(19)18-13-5-2-8(15)6-12(13)17/h2-7H,1H3,(H,18,19)
InChIKeyHZWFHAFITTVULD-UHFFFAOYSA-N
XLogP3.38
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.21
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-(2,4-dibromophenyl)-2-fluorobenzamide
CID 26691585
4-[(4-bromo-2-fluorobenzoyl)amino]benzenesulfonyl chloride
CID 43100929
4-bromo-N-(4-chloro-2-methylphenyl)-2-fluorobenzamide
CID 24708773
5-acetamido-N-(4-bromo-2-fluorophenyl)-2-(methanesulfonamido)benzamide
CID 56579817
N-(5-amino-2,4-difluorophenyl)-4-bromo-2-fluorobenzamide
CID 43549821
2-bromo-N-(4-bromo-2-fluorophenyl)-4-chlorobenzamide
CID 103763204
5-amino-N-(4-bromo-2-fluorophenyl)-2,4-difluorobenzamide
CID 61090845
2-(benzenesulfonamido)-N-(4-bromo-2-fluorophenyl)benzamide
CID 4223375
4-bromo-N-(2-bromo-5-methylphenyl)-2-fluorobenzamide
CID 82707497
4-bromo-2-fluoro-N-[4-(methanesulfonamido)-3-methoxyphenyl]benzamide
CID 37260856
N-(4-bromo-2-fluorophenyl)-2-oxopropanamide
CID 144805374
5-amino-N-(4-bromo-2-fluorophenyl)-2,4-dimethylbenzamide
CID 102704921

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-2-fluoro-4-methylsulfonylbenzamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-2-fluoro-4-methylsulfonylbenzamide (CID 71257495) is N-(4-bromo-2-fluorophenyl)-2-fluoro-4-methylsulfonylbenzamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-2-fluoro-4-methylsulfonylbenzamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-2-fluoro-4-methylsulfonylbenzamide is CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Br)cc2F)c(F)c1.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-2-fluoro-4-methylsulfonylbenzamide?
The InChIKey is HZWFHAFITTVULD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrF2NO3S/c1-22(20,21)9-3-4-10(11(16)7-9)14(19)18-13-5-2-8(15)6-12(13)17/h2-7H,1H3,(H,18,19).
What are the key properties of N-(4-bromo-2-fluorophenyl)-2-fluoro-4-methylsulfonylbenzamide?
N-(4-bromo-2-fluorophenyl)-2-fluoro-4-methylsulfonylbenzamide has a molecular weight of 390.21 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-2-fluoro-4-methylsulfonylbenzamide is sourced from PubChem (CID 71257495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).