2-bromo-N-[4-(difluoromethylsulfonyl)phenyl]benzamide

C14H10BrF2NO3S — CID 8503434

IUPAC2-bromo-N-[4-(difluoromethylsulfonyl)phenyl]benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)C(F)F)cc1)c1ccccc1Br
InChIInChI=1S/C14H10BrF2NO3S/c15-12-4-2-1-3-11(12)13(19)18-9-5-7-10(8-6-9)22(20,21)14(16)17/h1-8,14H,(H,18,19)
InChIKeyIPAISKSQQRGZQO-UHFFFAOYSA-N
MW390.21 g/mol
LogP3.70
Rot. Bonds4

About 2-bromo-N-[4-(difluoromethylsulfonyl)phenyl]benzamide

2-bromo-N-[4-(difluoromethylsulfonyl)phenyl]benzamide (PubChem CID 8503434) has the molecular formula C14H10BrF2NO3S and a molecular weight of 390.21 g/mol. Its IUPAC name is 2-bromo-N-[4-(difluoromethylsulfonyl)phenyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[4-(difluoromethylsulfonyl)phenyl]benzamide
PubChem CID8503434
Molecular FormulaC14H10BrF2NO3S
Molecular Weight390.21 g/mol
Exact Mass388.95
IUPAC Name2-bromo-N-[4-(difluoromethylsulfonyl)phenyl]benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)C(F)F)cc1)c1ccccc1Br
InChIInChI=1S/C14H10BrF2NO3S/c15-12-4-2-1-3-11(12)13(19)18-9-5-7-10(8-6-9)22(20,21)14(16)17/h1-8,14H,(H,18,19)
InChIKeyIPAISKSQQRGZQO-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

2-bromo-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]benzamide
CID 1010684
2-(2-bromophenyl)sulfanyl-N-[4-(difluoromethylsulfonyl)phenyl]acetamide
CID 42041858
N-(2-bromophenyl)-4-(difluoromethylsulfonyl)benzamide
CID 8713756
2-bromo-N-[4-(diethylsulfamoyl)phenyl]benzamide
CID 1303320
2-bromo-N-[4-(2-methylpropanoylamino)phenyl]benzamide
CID 2184947
4-acetamido-N-[4-(difluoromethylsulfonyl)phenyl]benzamide
CID 26898710
N-[4-(difluoromethylsulfonyl)phenyl]-4-phenoxybenzamide
CID 26898694
2-bromo-N-[4-(butylsulfamoyl)phenyl]benzamide
CID 2162853
2-bromo-N-[4-(hydroxymethyl)phenyl]benzamide
CID 64792802
2-bromo-N-[4-[ethyl(phenyl)sulfamoyl]phenyl]benzamide
CID 1015438
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-bromobenzamide
CID 1014272
2-[(2-bromobenzoyl)amino]-N-(4-bromophenyl)benzamide
CID 55358520

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[4-(difluoromethylsulfonyl)phenyl]benzamide?
The IUPAC name of 2-bromo-N-[4-(difluoromethylsulfonyl)phenyl]benzamide (CID 8503434) is 2-bromo-N-[4-(difluoromethylsulfonyl)phenyl]benzamide.
What is the SMILES notation for 2-bromo-N-[4-(difluoromethylsulfonyl)phenyl]benzamide?
The canonical SMILES for 2-bromo-N-[4-(difluoromethylsulfonyl)phenyl]benzamide is O=C(Nc1ccc(S(=O)(=O)C(F)F)cc1)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-[4-(difluoromethylsulfonyl)phenyl]benzamide?
The InChIKey is IPAISKSQQRGZQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrF2NO3S/c15-12-4-2-1-3-11(12)13(19)18-9-5-7-10(8-6-9)22(20,21)14(16)17/h1-8,14H,(H,18,19).
What are the key properties of 2-bromo-N-[4-(difluoromethylsulfonyl)phenyl]benzamide?
2-bromo-N-[4-(difluoromethylsulfonyl)phenyl]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 2-bromo-N-[4-(difluoromethylsulfonyl)phenyl]benzamide is sourced from PubChem (CID 8503434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).