N-(3-bromophenyl)-2-fluoro-N-[(2-methylphenyl)methyl]benzenesulfonamide

C20H17BrFNO2S — CID 46022691

IUPACN-(3-bromophenyl)-2-fluoro-N-[(2-methylphenyl)methyl]benzenesulfonamide
SMILESCc1ccccc1CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1F
InChIInChI=1S/C20H17BrFNO2S/c1-15-7-2-3-8-16(15)14-23(18-10-6-9-17(21)13-18)26(24,25)20-12-5-4-11-19(20)22/h2-13H,14H2,1H3
InChIKeyCEIGCPAXBDDZDA-UHFFFAOYSA-N
MW434.33 g/mol
LogP5.29
Rot. Bonds5

About N-(3-bromophenyl)-2-fluoro-N-[(2-methylphenyl)methyl]benzenesulfonamide

N-(3-bromophenyl)-2-fluoro-N-[(2-methylphenyl)methyl]benzenesulfonamide (PubChem CID 46022691) has the molecular formula C20H17BrFNO2S and a molecular weight of 434.33 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-fluoro-N-[(2-methylphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-fluoro-N-[(2-methylphenyl)methyl]benzenesulfonamide
PubChem CID46022691
Molecular FormulaC20H17BrFNO2S
Molecular Weight434.33 g/mol
Exact Mass433.01
IUPAC NameN-(3-bromophenyl)-2-fluoro-N-[(2-methylphenyl)methyl]benzenesulfonamide
SMILESCc1ccccc1CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1F
InChIInChI=1S/C20H17BrFNO2S/c1-15-7-2-3-8-16(15)14-23(18-10-6-9-17(21)13-18)26(24,25)20-12-5-4-11-19(20)22/h2-13H,14H2,1H3
InChIKeyCEIGCPAXBDDZDA-UHFFFAOYSA-N
XLogP5.29
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.33
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(3-bromophenyl)-2-fluoro-N-[(2-methylphenyl)methyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-fluoro-N-(3-fluoro-4-methylphenyl)-N-[(2-fluorophenyl)methyl]benzenesulfonamide
CID 42841698
N-(3-bromophenyl)-N-[(2-methylphenyl)methyl]-4-nitrobenzenesulfonamide
CID 46022689
N-[(2,4-difluorophenyl)methyl]-2-fluoro-N-(3-methylphenyl)benzenesulfonamide
CID 46022344
2-fluoro-N-(3-fluorophenyl)-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 46152535
2-fluoro-N-(3-fluorophenyl)-N-[(3-fluorophenyl)methyl]benzenesulfonamide
CID 42841727
N-(3,4-difluorophenyl)-3-methyl-N-[(2-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide
CID 53153454
(2R)-2-[[2-(3-bromo-N-methylsulfonylanilino)acetyl]-[(2-methylphenyl)methyl]amino]-N-tert-butylpropanamide
CID 125101907
3-bromo-N-[(2-fluorophenyl)methyl]-N-methylbenzenesulfonamide
CID 7937738
2,5-dibromo-N-methyl-N-[(2-methylphenyl)methyl]benzenesulfonamide
CID 30328697
2-chloro-N-(3,5-dimethoxyphenyl)-N-[(2-methylphenyl)methyl]benzenesulfonamide
CID 42841749
2-[[2-(3-bromo-N-(4-methylphenyl)sulfonylanilino)acetyl]-[(2-methylphenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 132695297
2-[[2-(3-bromo-N-methylsulfonylanilino)acetyl]-[(2-methylphenyl)methyl]amino]-N-ethylpropanamide
CID 132681647

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-fluoro-N-[(2-methylphenyl)methyl]benzenesulfonamide?
The IUPAC name of N-(3-bromophenyl)-2-fluoro-N-[(2-methylphenyl)methyl]benzenesulfonamide (CID 46022691) is N-(3-bromophenyl)-2-fluoro-N-[(2-methylphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for N-(3-bromophenyl)-2-fluoro-N-[(2-methylphenyl)methyl]benzenesulfonamide?
The canonical SMILES for N-(3-bromophenyl)-2-fluoro-N-[(2-methylphenyl)methyl]benzenesulfonamide is Cc1ccccc1CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1F.
What is the InChIKey of N-(3-bromophenyl)-2-fluoro-N-[(2-methylphenyl)methyl]benzenesulfonamide?
The InChIKey is CEIGCPAXBDDZDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrFNO2S/c1-15-7-2-3-8-16(15)14-23(18-10-6-9-17(21)13-18)26(24,25)20-12-5-4-11-19(20)22/h2-13H,14H2,1H3.
What are the key properties of N-(3-bromophenyl)-2-fluoro-N-[(2-methylphenyl)methyl]benzenesulfonamide?
N-(3-bromophenyl)-2-fluoro-N-[(2-methylphenyl)methyl]benzenesulfonamide has a molecular weight of 434.33 g/mol, XLogP of 5.29, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-fluoro-N-[(2-methylphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 46022691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).