N-[4-[(4-bromo-3-fluorophenyl)methylamino]phenyl]methanesulfonamide

C14H14BrFN2O2S — CID 81431279

IUPACN-[4-[(4-bromo-3-fluorophenyl)methylamino]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(NCc2ccc(Br)c(F)c2)cc1
InChIInChI=1S/C14H14BrFN2O2S/c1-21(19,20)18-12-5-3-11(4-6-12)17-9-10-2-7-13(15)14(16)8-10/h2-8,17-18H,9H2,1H3
InChIKeyFHTVGMOFBUYJTO-UHFFFAOYSA-N
MW373.25 g/mol
LogP3.57
Rot. Bonds5

About N-[4-[(4-bromo-3-fluorophenyl)methylamino]phenyl]methanesulfonamide

N-[4-[(4-bromo-3-fluorophenyl)methylamino]phenyl]methanesulfonamide (PubChem CID 81431279) has the molecular formula C14H14BrFN2O2S and a molecular weight of 373.25 g/mol. Its IUPAC name is N-[4-[(4-bromo-3-fluorophenyl)methylamino]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[(4-bromo-3-fluorophenyl)methylamino]phenyl]methanesulfonamide
PubChem CID81431279
Molecular FormulaC14H14BrFN2O2S
Molecular Weight373.25 g/mol
Exact Mass371.99
IUPAC NameN-[4-[(4-bromo-3-fluorophenyl)methylamino]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(NCc2ccc(Br)c(F)c2)cc1
InChIInChI=1S/C14H14BrFN2O2S/c1-21(19,20)18-12-5-3-11(4-6-12)17-9-10-2-7-13(15)14(16)8-10/h2-8,17-18H,9H2,1H3
InChIKeyFHTVGMOFBUYJTO-UHFFFAOYSA-N
XLogP3.57
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.25
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-bromo-3-fluorophenyl)methyl]-4-ethylsulfonylaniline
CID 79671646
N-[(4-bromo-3-fluorophenyl)methyl]-4-chloroaniline
CID 81432792
N-[(4-bromo-3-fluorophenyl)methyl]-3,5-dimethylaniline
CID 81436699
N-[(4-bromo-3-fluorophenyl)methyl]-3-methylsulfonyl-4-nitroaniline
CID 133405162
2-[4-[(4-bromo-3-fluorophenyl)methylamino]phenyl]ethanol
CID 81002416
N-[4-[(2-bromo-5-chlorophenyl)methylamino]phenyl]methanesulfonamide
CID 66159928
N-[(4-bromo-3-fluorophenyl)methyl]-3-fluoro-5-methylaniline
CID 81436065
methyl 5-[(4-bromo-3-fluorophenyl)methylamino]-2-fluorobenzoate
CID 79671769
N-[(4-bromo-3-fluorophenyl)methyl]-3-methyl-4-nitroaniline
CID 78982385
4-bromo-3-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]aniline
CID 65437481
N-[(4-bromo-3-fluorophenyl)methyl]pyrimidin-5-amine
CID 107587862
N-[4-[(4-bromo-3-fluoroanilino)methyl]phenyl]acetamide
CID 65435679

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-bromo-3-fluorophenyl)methylamino]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[(4-bromo-3-fluorophenyl)methylamino]phenyl]methanesulfonamide (CID 81431279) is N-[4-[(4-bromo-3-fluorophenyl)methylamino]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[(4-bromo-3-fluorophenyl)methylamino]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[(4-bromo-3-fluorophenyl)methylamino]phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(NCc2ccc(Br)c(F)c2)cc1.
What is the InChIKey of N-[4-[(4-bromo-3-fluorophenyl)methylamino]phenyl]methanesulfonamide?
The InChIKey is FHTVGMOFBUYJTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrFN2O2S/c1-21(19,20)18-12-5-3-11(4-6-12)17-9-10-2-7-13(15)14(16)8-10/h2-8,17-18H,9H2,1H3.
What are the key properties of N-[4-[(4-bromo-3-fluorophenyl)methylamino]phenyl]methanesulfonamide?
N-[4-[(4-bromo-3-fluorophenyl)methylamino]phenyl]methanesulfonamide has a molecular weight of 373.25 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-bromo-3-fluorophenyl)methylamino]phenyl]methanesulfonamide is sourced from PubChem (CID 81431279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).