4-bromo-N-[(4-fluorophenyl)-phenylmethyl]-N-methylbenzenesulfonamide

C20H17BrFNO2S — CID 138999298

IUPAC4-bromo-N-[(4-fluorophenyl)-phenylmethyl]-N-methylbenzenesulfonamide
SMILESCN(C(c1ccccc1)c1ccc(F)cc1)S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C20H17BrFNO2S/c1-23(26(24,25)19-13-9-17(21)10-14-19)20(15-5-3-2-4-6-15)16-7-11-18(22)12-8-16/h2-14,20H,1H3
InChIKeyGJPAYXLCRPIZHI-UHFFFAOYSA-N
MW434.33 g/mol
LogP5.00
Rot. Bonds5

About 4-bromo-N-[(4-fluorophenyl)-phenylmethyl]-N-methylbenzenesulfonamide

4-bromo-N-[(4-fluorophenyl)-phenylmethyl]-N-methylbenzenesulfonamide (PubChem CID 138999298) has the molecular formula C20H17BrFNO2S and a molecular weight of 434.33 g/mol. Its IUPAC name is 4-bromo-N-[(4-fluorophenyl)-phenylmethyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-[(4-fluorophenyl)-phenylmethyl]-N-methylbenzenesulfonamide
PubChem CID138999298
Molecular FormulaC20H17BrFNO2S
Molecular Weight434.33 g/mol
Exact Mass433.01
IUPAC Name4-bromo-N-[(4-fluorophenyl)-phenylmethyl]-N-methylbenzenesulfonamide
SMILESCN(C(c1ccccc1)c1ccc(F)cc1)S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C20H17BrFNO2S/c1-23(26(24,25)19-13-9-17(21)10-14-19)20(15-5-3-2-4-6-15)16-7-11-18(22)12-8-16/h2-14,20H,1H3
InChIKeyGJPAYXLCRPIZHI-UHFFFAOYSA-N
XLogP5.00
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.33
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(S)-(4-fluorophenyl)-phenylmethyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 31111887
N-[1-(4-bromophenyl)ethyl]-N-methylbenzenesulfonamide
CID 102147308
N-[1-(4-fluorophenyl)ethyl]-N-methylbenzenesulfonamide
CID 47096598
N-[(R)-(4-fluorophenyl)-phenylmethyl]-N-methyl-2-oxochromene-6-sulfonamide
CID 39983320
3-fluoro-N-[(4-fluorophenyl)-phenylmethyl]-N,2-dimethylbenzenesulfonamide
CID 139014948
2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(4-fluorophenyl)-phenylmethyl]acetamide
CID 55779481
N-(4-bromophenyl)-4-fluoro-N-methylbenzenesulfonamide
CID 100502341
4-bromo-N-phenyl-N-propan-2-ylbenzenesulfonamide
CID 56541765
2-[(4-bromophenyl)sulfonyl-methylamino]-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 43891555
4-fluoro-N-hydroxy-N-methylbenzenesulfonamide
CID 130971080
4-[(4-bromophenyl)sulfonyl-methylamino]-3-phenylbutanoate
CID 3463211
(3S)-4-[(4-bromophenyl)sulfonyl-methylamino]-3-phenylbutanoate
CID 7045231

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(4-fluorophenyl)-phenylmethyl]-N-methylbenzenesulfonamide?
The IUPAC name of 4-bromo-N-[(4-fluorophenyl)-phenylmethyl]-N-methylbenzenesulfonamide (CID 138999298) is 4-bromo-N-[(4-fluorophenyl)-phenylmethyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-bromo-N-[(4-fluorophenyl)-phenylmethyl]-N-methylbenzenesulfonamide?
The canonical SMILES for 4-bromo-N-[(4-fluorophenyl)-phenylmethyl]-N-methylbenzenesulfonamide is CN(C(c1ccccc1)c1ccc(F)cc1)S(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[(4-fluorophenyl)-phenylmethyl]-N-methylbenzenesulfonamide?
The InChIKey is GJPAYXLCRPIZHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrFNO2S/c1-23(26(24,25)19-13-9-17(21)10-14-19)20(15-5-3-2-4-6-15)16-7-11-18(22)12-8-16/h2-14,20H,1H3.
What are the key properties of 4-bromo-N-[(4-fluorophenyl)-phenylmethyl]-N-methylbenzenesulfonamide?
4-bromo-N-[(4-fluorophenyl)-phenylmethyl]-N-methylbenzenesulfonamide has a molecular weight of 434.33 g/mol, XLogP of 5.00, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(4-fluorophenyl)-phenylmethyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 138999298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).