4-methoxy-3-methyl-N-[(4-methylphenyl)-phenylmethyl]benzenesulfonamide

C22H23NO3S — CID 43908516

IUPAC4-methoxy-3-methyl-N-[(4-methylphenyl)-phenylmethyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC(c2ccccc2)c2ccc(C)cc2)cc1C
InChIInChI=1S/C22H23NO3S/c1-16-9-11-19(12-10-16)22(18-7-5-4-6-8-18)23-27(24,25)20-13-14-21(26-3)17(2)15-20/h4-15,22-23H,1-3H3
InChIKeyMYVXBOWRZASGLZ-UHFFFAOYSA-N
MW381.50 g/mol
LogP4.38
Rot. Bonds6

About 4-methoxy-3-methyl-N-[(4-methylphenyl)-phenylmethyl]benzenesulfonamide

4-methoxy-3-methyl-N-[(4-methylphenyl)-phenylmethyl]benzenesulfonamide (PubChem CID 43908516) has the molecular formula C22H23NO3S and a molecular weight of 381.50 g/mol. Its IUPAC name is 4-methoxy-3-methyl-N-[(4-methylphenyl)-phenylmethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-3-methyl-N-[(4-methylphenyl)-phenylmethyl]benzenesulfonamide
PubChem CID43908516
Molecular FormulaC22H23NO3S
Molecular Weight381.50 g/mol
Exact Mass381.14
IUPAC Name4-methoxy-3-methyl-N-[(4-methylphenyl)-phenylmethyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC(c2ccccc2)c2ccc(C)cc2)cc1C
InChIInChI=1S/C22H23NO3S/c1-16-9-11-19(12-10-16)22(18-7-5-4-6-8-18)23-27(24,25)20-13-14-21(26-3)17(2)15-20/h4-15,22-23H,1-3H3
InChIKeyMYVXBOWRZASGLZ-UHFFFAOYSA-N
XLogP4.38
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-methyl-5-[[(R)-(4-methylphenyl)-phenylmethyl]sulfamoyl]benzoate
CID 100570774
3-(azepane-1-carbonyl)-4-methoxy-N-[(4-methylphenyl)-phenylmethyl]benzenesulfonamide
CID 43885368
4-methyl-N-[(4-methylphenyl)-(4-phenylphenyl)methyl]benzenesulfonamide
CID 134927453
4-methyl-N-[(R)-(4-methylphenyl)-(4-phenylphenyl)methyl]benzenesulfonamide
CID 102072204
N-[(S)-(4-methoxyphenyl)-phenylmethyl]naphthalene-2-sulfonamide
CID 1259617
N-[1-(4-methoxy-3-methylphenyl)propyl]-4-methylbenzenesulfonamide
CID 133160247
N-benzhydryl-4-methoxy-2,3-dimethylbenzenesulfonamide
CID 100668632
4-methoxy-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]-3-methylbenzenesulfonamide
CID 100769240
4-methoxy-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]-3-methylbenzenesulfonamide
CID 100769242
N-[(S)-(3,4-dimethylphenyl)-phenylmethyl]benzenesulfonamide
CID 26528903
N-[(4-chlorophenyl)-(2-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
CID 122208016
3,4-dimethoxy-N-[(5-methyl-1,3,4-oxadiazol-2-yl)-phenylmethyl]benzenesulfonamide
CID 110322110

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-methyl-N-[(4-methylphenyl)-phenylmethyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-3-methyl-N-[(4-methylphenyl)-phenylmethyl]benzenesulfonamide (CID 43908516) is 4-methoxy-3-methyl-N-[(4-methylphenyl)-phenylmethyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-3-methyl-N-[(4-methylphenyl)-phenylmethyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-3-methyl-N-[(4-methylphenyl)-phenylmethyl]benzenesulfonamide is COc1ccc(S(=O)(=O)NC(c2ccccc2)c2ccc(C)cc2)cc1C.
What is the InChIKey of 4-methoxy-3-methyl-N-[(4-methylphenyl)-phenylmethyl]benzenesulfonamide?
The InChIKey is MYVXBOWRZASGLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO3S/c1-16-9-11-19(12-10-16)22(18-7-5-4-6-8-18)23-27(24,25)20-13-14-21(26-3)17(2)15-20/h4-15,22-23H,1-3H3.
What are the key properties of 4-methoxy-3-methyl-N-[(4-methylphenyl)-phenylmethyl]benzenesulfonamide?
4-methoxy-3-methyl-N-[(4-methylphenyl)-phenylmethyl]benzenesulfonamide has a molecular weight of 381.50 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-methyl-N-[(4-methylphenyl)-phenylmethyl]benzenesulfonamide is sourced from PubChem (CID 43908516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).