N-[(2-bromophenyl)methyl]-1-(4-fluorophenyl)-N-methylmethanesulfonamide

C15H15BrFNO2S — CID 46516248

IUPACN-[(2-bromophenyl)methyl]-1-(4-fluorophenyl)-N-methylmethanesulfonamide
SMILESCN(Cc1ccccc1Br)S(=O)(=O)Cc1ccc(F)cc1
InChIInChI=1S/C15H15BrFNO2S/c1-18(10-13-4-2-3-5-15(13)16)21(19,20)11-12-6-8-14(17)9-7-12/h2-9H,10-11H2,1H3
InChIKeyGNVJYIHEYVKAJA-UHFFFAOYSA-N
MW372.26 g/mol
LogP3.55
Rot. Bonds5

About N-[(2-bromophenyl)methyl]-1-(4-fluorophenyl)-N-methylmethanesulfonamide

N-[(2-bromophenyl)methyl]-1-(4-fluorophenyl)-N-methylmethanesulfonamide (PubChem CID 46516248) has the molecular formula C15H15BrFNO2S and a molecular weight of 372.26 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-1-(4-fluorophenyl)-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-1-(4-fluorophenyl)-N-methylmethanesulfonamide
PubChem CID46516248
Molecular FormulaC15H15BrFNO2S
Molecular Weight372.26 g/mol
Exact Mass371.00
IUPAC NameN-[(2-bromophenyl)methyl]-1-(4-fluorophenyl)-N-methylmethanesulfonamide
SMILESCN(Cc1ccccc1Br)S(=O)(=O)Cc1ccc(F)cc1
InChIInChI=1S/C15H15BrFNO2S/c1-18(10-13-4-2-3-5-15(13)16)21(19,20)11-12-6-8-14(17)9-7-12/h2-9H,10-11H2,1H3
InChIKeyGNVJYIHEYVKAJA-UHFFFAOYSA-N
XLogP3.55
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.26
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Bretylium Tosylate
CID 6100
N-benzyl-2-bromo-N-ethylbenzenesulfonamide
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CID 47176171
N-[(4-bromophenyl)methyl]-N-methylmethanesulfonamide
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N-benzyl-2-bromo-N-methylbenzenesulfonamide
CID 8405285
1-[(2-Bromo-4-fluorophenyl)methyl]-4-methylsulfonylpiperazine
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CID 53240189
N-[2-[(2-bromo-5-fluorophenyl)methylamino]ethyl]ethanesulfonamide
CID 71906873
N-[3-[(2-bromo-5-fluorophenyl)methylamino]propyl]methanesulfonamide
CID 75434778
N-[(2-bromo-5-fluorophenyl)methyl]-3-methylsulfinylpropan-1-amine
CID 84592361
(3S,6R)-2-[(4-bromo-2,5-difluoro-phenyl)methyl]-3-methyl-6-phenyl-thiazinane 1,1-dioxide
CID 118222984
N-benzyl-4-bromo-N-methylbenzenesulfonamide
CID 669305

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-1-(4-fluorophenyl)-N-methylmethanesulfonamide?
The IUPAC name of N-[(2-bromophenyl)methyl]-1-(4-fluorophenyl)-N-methylmethanesulfonamide (CID 46516248) is N-[(2-bromophenyl)methyl]-1-(4-fluorophenyl)-N-methylmethanesulfonamide.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-1-(4-fluorophenyl)-N-methylmethanesulfonamide?
The canonical SMILES for N-[(2-bromophenyl)methyl]-1-(4-fluorophenyl)-N-methylmethanesulfonamide is CN(Cc1ccccc1Br)S(=O)(=O)Cc1ccc(F)cc1.
What is the InChIKey of N-[(2-bromophenyl)methyl]-1-(4-fluorophenyl)-N-methylmethanesulfonamide?
The InChIKey is GNVJYIHEYVKAJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFNO2S/c1-18(10-13-4-2-3-5-15(13)16)21(19,20)11-12-6-8-14(17)9-7-12/h2-9H,10-11H2,1H3.
What are the key properties of N-[(2-bromophenyl)methyl]-1-(4-fluorophenyl)-N-methylmethanesulfonamide?
N-[(2-bromophenyl)methyl]-1-(4-fluorophenyl)-N-methylmethanesulfonamide has a molecular weight of 372.26 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-1-(4-fluorophenyl)-N-methylmethanesulfonamide is sourced from PubChem (CID 46516248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).