N-(2-bromophenyl)-4-(difluoromethylsulfonyl)benzamide

C14H10BrF2NO3S — CID 8713756

IUPACN-(2-bromophenyl)-4-(difluoromethylsulfonyl)benzamide
SMILESO=C(Nc1ccccc1Br)c1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C14H10BrF2NO3S/c15-11-3-1-2-4-12(11)18-13(19)9-5-7-10(8-6-9)22(20,21)14(16)17/h1-8,14H,(H,18,19)
InChIKeyAIDBDSCTEIJBSK-UHFFFAOYSA-N
MW390.21 g/mol
LogP3.70
Rot. Bonds4

About N-(2-bromophenyl)-4-(difluoromethylsulfonyl)benzamide

N-(2-bromophenyl)-4-(difluoromethylsulfonyl)benzamide (PubChem CID 8713756) has the molecular formula C14H10BrF2NO3S and a molecular weight of 390.21 g/mol. Its IUPAC name is N-(2-bromophenyl)-4-(difluoromethylsulfonyl)benzamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-4-(difluoromethylsulfonyl)benzamide
PubChem CID8713756
Molecular FormulaC14H10BrF2NO3S
Molecular Weight390.21 g/mol
Exact Mass388.95
IUPAC NameN-(2-bromophenyl)-4-(difluoromethylsulfonyl)benzamide
SMILESO=C(Nc1ccccc1Br)c1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C14H10BrF2NO3S/c15-11-3-1-2-4-12(11)18-13(19)9-5-7-10(8-6-9)22(20,21)14(16)17/h1-8,14H,(H,18,19)
InChIKeyAIDBDSCTEIJBSK-UHFFFAOYSA-N
XLogP3.70
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.21
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(difluoromethylsulfonyl)-N-(2-fluorophenyl)benzamide
CID 8780386
N-(2-acetylphenyl)-4-(difluoromethylsulfonyl)benzamide
CID 8749517
4-(difluoromethylsulfonyl)-N-(2-ethoxyphenyl)benzamide
CID 2590897
N-[2-(2-chlorophenoxy)phenyl]-4-(difluoromethylsulfonyl)benzamide
CID 24514279
4-(difluoromethylsulfonyl)-N-[2-(ethoxymethyl)phenyl]benzamide
CID 86821736
2-bromo-N-[4-(difluoromethylsulfonyl)phenyl]benzamide
CID 8503434
4-(difluoromethylsulfonyl)-N-[2-(piperidine-1-carbonyl)phenyl]benzamide
CID 26905324
4-(difluoromethylsulfonyl)-N-(3-methylnaphthalen-1-yl)benzamide
CID 166369016
4-benzamido-N-(2-bromophenyl)benzamide
CID 17153303
4-acetamido-N-[4-(difluoromethylsulfonyl)phenyl]benzamide
CID 26898710
4-(difluoromethylsulfonyl)benzohydrazide
CID 703325
N-[4-(difluoromethylsulfonyl)phenyl]-4-phenoxybenzamide
CID 26898694

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-4-(difluoromethylsulfonyl)benzamide?
The IUPAC name of N-(2-bromophenyl)-4-(difluoromethylsulfonyl)benzamide (CID 8713756) is N-(2-bromophenyl)-4-(difluoromethylsulfonyl)benzamide.
What is the SMILES notation for N-(2-bromophenyl)-4-(difluoromethylsulfonyl)benzamide?
The canonical SMILES for N-(2-bromophenyl)-4-(difluoromethylsulfonyl)benzamide is O=C(Nc1ccccc1Br)c1ccc(S(=O)(=O)C(F)F)cc1.
What is the InChIKey of N-(2-bromophenyl)-4-(difluoromethylsulfonyl)benzamide?
The InChIKey is AIDBDSCTEIJBSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrF2NO3S/c15-11-3-1-2-4-12(11)18-13(19)9-5-7-10(8-6-9)22(20,21)14(16)17/h1-8,14H,(H,18,19).
What are the key properties of N-(2-bromophenyl)-4-(difluoromethylsulfonyl)benzamide?
N-(2-bromophenyl)-4-(difluoromethylsulfonyl)benzamide has a molecular weight of 390.21 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-4-(difluoromethylsulfonyl)benzamide is sourced from PubChem (CID 8713756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).