2-bromo-N-[(5-chloro-2-methoxyphenyl)methyl]-4-fluoro-N-methylbenzenesulfonamide

C15H14BrClFNO3S — CID 55873231

IUPAC2-bromo-N-[(5-chloro-2-methoxyphenyl)methyl]-4-fluoro-N-methylbenzenesulfonamide
SMILESCOc1ccc(Cl)cc1CN(C)S(=O)(=O)c1ccc(F)cc1Br
InChIInChI=1S/C15H14BrClFNO3S/c1-19(9-10-7-11(17)3-5-14(10)22-2)23(20,21)15-6-4-12(18)8-13(15)16/h3-8H,9H2,1-2H3
InChIKeyPZLCGVXAINXVIR-UHFFFAOYSA-N
MW422.70 g/mol
LogP4.07
Rot. Bonds5

About 2-bromo-N-[(5-chloro-2-methoxyphenyl)methyl]-4-fluoro-N-methylbenzenesulfonamide

2-bromo-N-[(5-chloro-2-methoxyphenyl)methyl]-4-fluoro-N-methylbenzenesulfonamide (PubChem CID 55873231) has the molecular formula C15H14BrClFNO3S and a molecular weight of 422.70 g/mol. Its IUPAC name is 2-bromo-N-[(5-chloro-2-methoxyphenyl)methyl]-4-fluoro-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-[(5-chloro-2-methoxyphenyl)methyl]-4-fluoro-N-methylbenzenesulfonamide
PubChem CID55873231
Molecular FormulaC15H14BrClFNO3S
Molecular Weight422.70 g/mol
Exact Mass420.96
IUPAC Name2-bromo-N-[(5-chloro-2-methoxyphenyl)methyl]-4-fluoro-N-methylbenzenesulfonamide
SMILESCOc1ccc(Cl)cc1CN(C)S(=O)(=O)c1ccc(F)cc1Br
InChIInChI=1S/C15H14BrClFNO3S/c1-19(9-10-7-11(17)3-5-14(10)22-2)23(20,21)15-6-4-12(18)8-13(15)16/h3-8H,9H2,1-2H3
InChIKeyPZLCGVXAINXVIR-UHFFFAOYSA-N
XLogP4.07
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.70
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-[(4-bromophenyl)methyl]-4-fluoro-N-methylbenzenesulfonamide
CID 55702998
1-(2-bromo-4-fluorophenyl)-2-(5-chloro-2-methoxyphenyl)ethanone
CID 114968625
2-bromo-4-fluoro-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 52697144
N-(3-aminopropyl)-2-bromo-4-fluoro-N-methylbenzenesulfonamide
CID 115318995
2-bromo-4-fluoro-N-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 47304230
2,4-dibromo-N-[(2-fluorophenyl)methyl]-N-methylbenzenesulfonamide
CID 61060274
2-bromo-N-(2-ethoxyethyl)-4-fluoro-N-methylbenzenesulfonamide
CID 81062736
2-bromo-4-fluoro-N-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 47257761
2,5-dichloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzenesulfonamide
CID 4789845
2-[(5-chloro-2-methoxyphenyl)methylsulfonyl]-4-fluoroaniline
CID 81192658
2-bromo-N-[(5-chloro-2-methoxyphenyl)methyl]-4,6-difluoroaniline
CID 43646669
2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]-N-(4-fluorophenyl)acetamide
CID 45373445

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(5-chloro-2-methoxyphenyl)methyl]-4-fluoro-N-methylbenzenesulfonamide?
The IUPAC name of 2-bromo-N-[(5-chloro-2-methoxyphenyl)methyl]-4-fluoro-N-methylbenzenesulfonamide (CID 55873231) is 2-bromo-N-[(5-chloro-2-methoxyphenyl)methyl]-4-fluoro-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-bromo-N-[(5-chloro-2-methoxyphenyl)methyl]-4-fluoro-N-methylbenzenesulfonamide?
The canonical SMILES for 2-bromo-N-[(5-chloro-2-methoxyphenyl)methyl]-4-fluoro-N-methylbenzenesulfonamide is COc1ccc(Cl)cc1CN(C)S(=O)(=O)c1ccc(F)cc1Br.
What is the InChIKey of 2-bromo-N-[(5-chloro-2-methoxyphenyl)methyl]-4-fluoro-N-methylbenzenesulfonamide?
The InChIKey is PZLCGVXAINXVIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClFNO3S/c1-19(9-10-7-11(17)3-5-14(10)22-2)23(20,21)15-6-4-12(18)8-13(15)16/h3-8H,9H2,1-2H3.
What are the key properties of 2-bromo-N-[(5-chloro-2-methoxyphenyl)methyl]-4-fluoro-N-methylbenzenesulfonamide?
2-bromo-N-[(5-chloro-2-methoxyphenyl)methyl]-4-fluoro-N-methylbenzenesulfonamide has a molecular weight of 422.70 g/mol, XLogP of 4.07, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(5-chloro-2-methoxyphenyl)methyl]-4-fluoro-N-methylbenzenesulfonamide is sourced from PubChem (CID 55873231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).