N-benzhydryl-5-bromo-2-ethoxybenzenesulfonamide

C21H20BrNO3S — CID 2386375

IUPACN-benzhydryl-5-bromo-2-ethoxybenzenesulfonamide
SMILESCCOc1ccc(Br)cc1S(=O)(=O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H20BrNO3S/c1-2-26-19-14-13-18(22)15-20(19)27(24,25)23-21(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-15,21,23H,2H2,1H3
InChIKeyJFDXCKCGBQTTAW-UHFFFAOYSA-N
MW446.37 g/mol
LogP4.92
Rot. Bonds7

About N-benzhydryl-5-bromo-2-ethoxybenzenesulfonamide

N-benzhydryl-5-bromo-2-ethoxybenzenesulfonamide (PubChem CID 2386375) has the molecular formula C21H20BrNO3S and a molecular weight of 446.37 g/mol. Its IUPAC name is N-benzhydryl-5-bromo-2-ethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-benzhydryl-5-bromo-2-ethoxybenzenesulfonamide
PubChem CID2386375
Molecular FormulaC21H20BrNO3S
Molecular Weight446.37 g/mol
Exact Mass445.03
IUPAC NameN-benzhydryl-5-bromo-2-ethoxybenzenesulfonamide
SMILESCCOc1ccc(Br)cc1S(=O)(=O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H20BrNO3S/c1-2-26-19-14-13-18(22)15-20(19)27(24,25)23-21(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-15,21,23H,2H2,1H3
InChIKeyJFDXCKCGBQTTAW-UHFFFAOYSA-N
XLogP4.92
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.37
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-methoxy-N-[phenyl(pyridin-4-yl)methyl]benzenesulfonamide
CID 112771144
5-bromo-2-ethoxy-N-[(1S)-1-pyridin-3-ylethyl]benzenesulfonamide
CID 40673071
5-bromo-2-ethoxy-N-(1-hydroxypentan-3-yl)benzenesulfonamide
CID 115755202
5-bromo-2-ethoxy-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 24541192
5-bromo-2-ethoxy-N-naphthalen-1-ylbenzenesulfonamide
CID 2394336
5-bromo-2-ethoxy-N-(4-propan-2-ylphenyl)benzenesulfonamide
CID 7938973
N-(1-aminohexan-2-yl)-5-bromo-2-ethoxybenzenesulfonamide
CID 80697783
5-bromo-2-ethoxy-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)benzenesulfonamide
CID 103912575
N-[(1R)-1-(4-bromophenyl)ethyl]-5-chloro-2-ethoxybenzenesulfonamide
CID 28560519
5-bromo-N-[2-(dimethylamino)ethyl]-2-ethoxybenzenesulfonamide
CID 2561925
4-[(5-bromo-2-ethoxyphenyl)sulfonylamino]-3-methylbutanoic acid
CID 81066148
3-[(5-bromo-2-methoxyphenyl)sulfonylamino]-3-phenylpropanoic acid
CID 45439126

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-5-bromo-2-ethoxybenzenesulfonamide?
The IUPAC name of N-benzhydryl-5-bromo-2-ethoxybenzenesulfonamide (CID 2386375) is N-benzhydryl-5-bromo-2-ethoxybenzenesulfonamide.
What is the SMILES notation for N-benzhydryl-5-bromo-2-ethoxybenzenesulfonamide?
The canonical SMILES for N-benzhydryl-5-bromo-2-ethoxybenzenesulfonamide is CCOc1ccc(Br)cc1S(=O)(=O)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-benzhydryl-5-bromo-2-ethoxybenzenesulfonamide?
The InChIKey is JFDXCKCGBQTTAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20BrNO3S/c1-2-26-19-14-13-18(22)15-20(19)27(24,25)23-21(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-15,21,23H,2H2,1H3.
What are the key properties of N-benzhydryl-5-bromo-2-ethoxybenzenesulfonamide?
N-benzhydryl-5-bromo-2-ethoxybenzenesulfonamide has a molecular weight of 446.37 g/mol, XLogP of 4.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-5-bromo-2-ethoxybenzenesulfonamide is sourced from PubChem (CID 2386375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).