N-(3,4-dimethoxyphenyl)-3-methyl-N-[(4-methylphenyl)methyl]benzenesulfonamide

C23H25NO4S — CID 42841888

IUPACN-(3,4-dimethoxyphenyl)-3-methyl-N-[(4-methylphenyl)methyl]benzenesulfonamide
SMILESCOc1ccc(N(Cc2ccc(C)cc2)S(=O)(=O)c2cccc(C)c2)cc1OC
InChIInChI=1S/C23H25NO4S/c1-17-8-10-19(11-9-17)16-24(20-12-13-22(27-3)23(15-20)28-4)29(25,26)21-7-5-6-18(2)14-21/h5-15H,16H2,1-4H3
InChIKeyQTZIPPBVZMXNPZ-UHFFFAOYSA-N
MW411.52 g/mol
LogP4.72
Rot. Bonds7

About N-(3,4-dimethoxyphenyl)-3-methyl-N-[(4-methylphenyl)methyl]benzenesulfonamide

N-(3,4-dimethoxyphenyl)-3-methyl-N-[(4-methylphenyl)methyl]benzenesulfonamide (PubChem CID 42841888) has the molecular formula C23H25NO4S and a molecular weight of 411.52 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-3-methyl-N-[(4-methylphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-3-methyl-N-[(4-methylphenyl)methyl]benzenesulfonamide
PubChem CID42841888
Molecular FormulaC23H25NO4S
Molecular Weight411.52 g/mol
Exact Mass411.15
IUPAC NameN-(3,4-dimethoxyphenyl)-3-methyl-N-[(4-methylphenyl)methyl]benzenesulfonamide
SMILESCOc1ccc(N(Cc2ccc(C)cc2)S(=O)(=O)c2cccc(C)c2)cc1OC
InChIInChI=1S/C23H25NO4S/c1-17-8-10-19(11-9-17)16-24(20-12-13-22(27-3)23(15-20)28-4)29(25,26)21-7-5-6-18(2)14-21/h5-15H,16H2,1-4H3
InChIKeyQTZIPPBVZMXNPZ-UHFFFAOYSA-N
XLogP4.72
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.52
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dimethoxyphenyl)-4-methyl-N-[(3-methylphenyl)methyl]benzenesulfonamide
CID 46022202
N-(3,4-dimethoxyphenyl)-N-[(3-fluorophenyl)methyl]-3-methylbenzenesulfonamide
CID 42841912
N-(3,4-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 24719654
N-[(3,4-dimethoxyphenyl)methyl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 42841619
N-[(3-chlorophenyl)methyl]-N-(3,4-dimethoxyphenyl)-4-methylbenzenesulfonamide
CID 46021917
N-[(4-chlorophenyl)methyl]-N-(3,4-dimethoxyphenyl)benzenesulfonamide
CID 46021895
N-(3-fluorophenyl)-3-methoxy-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 42841886
N-(3,4-dimethoxyphenyl)-3-fluoro-N-[(4-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
CID 42841941
N-[(3,5-dimethoxyphenyl)methyl]-4-methyl-N-(3-methylphenyl)benzenesulfonamide
CID 46021875
N-benzyl-4-chloro-N-(3,4-dimethoxyphenyl)benzenesulfonamide
CID 46021764
N-[(4-fluorophenyl)methyl]-3-methyl-N-phenylbenzenesulfonamide
CID 46023035
N-benzyl-N-(4-bromophenyl)-3-methylbenzenesulfonamide
CID 46022840

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-3-methyl-N-[(4-methylphenyl)methyl]benzenesulfonamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-3-methyl-N-[(4-methylphenyl)methyl]benzenesulfonamide (CID 42841888) is N-(3,4-dimethoxyphenyl)-3-methyl-N-[(4-methylphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-3-methyl-N-[(4-methylphenyl)methyl]benzenesulfonamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-3-methyl-N-[(4-methylphenyl)methyl]benzenesulfonamide is COc1ccc(N(Cc2ccc(C)cc2)S(=O)(=O)c2cccc(C)c2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-3-methyl-N-[(4-methylphenyl)methyl]benzenesulfonamide?
The InChIKey is QTZIPPBVZMXNPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO4S/c1-17-8-10-19(11-9-17)16-24(20-12-13-22(27-3)23(15-20)28-4)29(25,26)21-7-5-6-18(2)14-21/h5-15H,16H2,1-4H3.
What are the key properties of N-(3,4-dimethoxyphenyl)-3-methyl-N-[(4-methylphenyl)methyl]benzenesulfonamide?
N-(3,4-dimethoxyphenyl)-3-methyl-N-[(4-methylphenyl)methyl]benzenesulfonamide has a molecular weight of 411.52 g/mol, XLogP of 4.72, 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)-3-methyl-N-[(4-methylphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 42841888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).