N-(3,4-dimethoxyphenyl)-N-[(3-fluorophenyl)methyl]-3-methylbenzenesulfonamide

C22H22FNO4S — CID 42841912

IUPACN-(3,4-dimethoxyphenyl)-N-[(3-fluorophenyl)methyl]-3-methylbenzenesulfonamide
SMILESCOc1ccc(N(Cc2cccc(F)c2)S(=O)(=O)c2cccc(C)c2)cc1OC
InChIInChI=1S/C22H22FNO4S/c1-16-6-4-9-20(12-16)29(25,26)24(15-17-7-5-8-18(23)13-17)19-10-11-21(27-2)22(14-19)28-3/h4-14H,15H2,1-3H3
InChIKeyIGLPQOJRWLZCTL-UHFFFAOYSA-N
MW415.49 g/mol
LogP4.55
Rot. Bonds7

About N-(3,4-dimethoxyphenyl)-N-[(3-fluorophenyl)methyl]-3-methylbenzenesulfonamide

N-(3,4-dimethoxyphenyl)-N-[(3-fluorophenyl)methyl]-3-methylbenzenesulfonamide (PubChem CID 42841912) has the molecular formula C22H22FNO4S and a molecular weight of 415.49 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-N-[(3-fluorophenyl)methyl]-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-N-[(3-fluorophenyl)methyl]-3-methylbenzenesulfonamide
PubChem CID42841912
Molecular FormulaC22H22FNO4S
Molecular Weight415.49 g/mol
Exact Mass415.13
IUPAC NameN-(3,4-dimethoxyphenyl)-N-[(3-fluorophenyl)methyl]-3-methylbenzenesulfonamide
SMILESCOc1ccc(N(Cc2cccc(F)c2)S(=O)(=O)c2cccc(C)c2)cc1OC
InChIInChI=1S/C22H22FNO4S/c1-16-6-4-9-20(12-16)29(25,26)24(15-17-7-5-8-18(23)13-17)19-10-11-21(27-2)22(14-19)28-3/h4-14H,15H2,1-3H3
InChIKeyIGLPQOJRWLZCTL-UHFFFAOYSA-N
XLogP4.55
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(3,4-dimethoxyphenyl)-N-[(3-fluorophenyl)methyl]-3-methylbenzenesulfonamide 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

N-(3,4-dimethoxyphenyl)-3-methyl-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 42841888
N-(3,4-dimethoxyphenyl)-4-methyl-N-[(3-methylphenyl)methyl]benzenesulfonamide
CID 46022202
N-(4-fluorophenyl)-3-methyl-N-[(3-methylphenyl)methyl]benzenesulfonamide
CID 42842072
N-(3-fluoro-4-methylphenyl)-N-[(3-fluorophenyl)methyl]-3-methoxybenzenesulfonamide
CID 46022930
3-fluoro-N-(3-fluoro-4-methylphenyl)-N-[(3-methylphenyl)methyl]benzenesulfonamide
CID 46023338
3-fluoro-N-(3-fluoro-4-methylphenyl)-N-[(3-methoxyphenyl)methyl]benzenesulfonamide
CID 46023299
N-[(3,4-dimethoxyphenyl)methyl]-N-(3-fluorophenyl)-3-nitrobenzenesulfonamide
CID 42841781
N-[(3-chlorophenyl)methyl]-N-(3,4-dimethoxyphenyl)-4-methylbenzenesulfonamide
CID 46021917
N-[(3,4-dimethoxyphenyl)methyl]-5-fluoro-2-methyl-N-(3-methylphenyl)benzenesulfonamide
CID 46023083
N-(3-fluorophenyl)-3-methoxy-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 42841886
N-[(3-fluorophenyl)methyl]-4-methoxy-N-(3-methoxyphenyl)benzenesulfonamide
CID 46022383
4-chloro-N-[(3-fluorophenyl)methyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 46021814

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-N-[(3-fluorophenyl)methyl]-3-methylbenzenesulfonamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-N-[(3-fluorophenyl)methyl]-3-methylbenzenesulfonamide (CID 42841912) is N-(3,4-dimethoxyphenyl)-N-[(3-fluorophenyl)methyl]-3-methylbenzenesulfonamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-N-[(3-fluorophenyl)methyl]-3-methylbenzenesulfonamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-N-[(3-fluorophenyl)methyl]-3-methylbenzenesulfonamide is COc1ccc(N(Cc2cccc(F)c2)S(=O)(=O)c2cccc(C)c2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-N-[(3-fluorophenyl)methyl]-3-methylbenzenesulfonamide?
The InChIKey is IGLPQOJRWLZCTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FNO4S/c1-16-6-4-9-20(12-16)29(25,26)24(15-17-7-5-8-18(23)13-17)19-10-11-21(27-2)22(14-19)28-3/h4-14H,15H2,1-3H3.
What are the key properties of N-(3,4-dimethoxyphenyl)-N-[(3-fluorophenyl)methyl]-3-methylbenzenesulfonamide?
N-(3,4-dimethoxyphenyl)-N-[(3-fluorophenyl)methyl]-3-methylbenzenesulfonamide has a molecular weight of 415.49 g/mol, XLogP of 4.55, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-N-[(3-fluorophenyl)methyl]-3-methylbenzenesulfonamide is sourced from PubChem (CID 42841912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).