N,4-dimethyl-N-[4-[(3-methylphenyl)methoxy]phenyl]benzenesulfonamide

C22H23NO3S — CID 24819423

IUPACN,4-dimethyl-N-[4-[(3-methylphenyl)methoxy]phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)c2ccc(OCc3cccc(C)c3)cc2)cc1
InChIInChI=1S/C22H23NO3S/c1-17-7-13-22(14-8-17)27(24,25)23(3)20-9-11-21(12-10-20)26-16-19-6-4-5-18(2)15-19/h4-15H,16H2,1-3H3
InChIKeyGHSIOVGSJZLZID-UHFFFAOYSA-N
MW381.50 g/mol
LogP4.71
Rot. Bonds6

About N,4-dimethyl-N-[4-[(3-methylphenyl)methoxy]phenyl]benzenesulfonamide

N,4-dimethyl-N-[4-[(3-methylphenyl)methoxy]phenyl]benzenesulfonamide (PubChem CID 24819423) has the molecular formula C22H23NO3S and a molecular weight of 381.50 g/mol. Its IUPAC name is N,4-dimethyl-N-[4-[(3-methylphenyl)methoxy]phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN,4-dimethyl-N-[4-[(3-methylphenyl)methoxy]phenyl]benzenesulfonamide
PubChem CID24819423
Molecular FormulaC22H23NO3S
Molecular Weight381.50 g/mol
Exact Mass381.14
IUPAC NameN,4-dimethyl-N-[4-[(3-methylphenyl)methoxy]phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)c2ccc(OCc3cccc(C)c3)cc2)cc1
InChIInChI=1S/C22H23NO3S/c1-17-7-13-22(14-8-17)27(24,25)23(3)20-9-11-21(12-10-20)26-16-19-6-4-5-18(2)15-19/h4-15H,16H2,1-3H3
InChIKeyGHSIOVGSJZLZID-UHFFFAOYSA-N
XLogP4.71
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-(Diethylamino)benzyl)-4-methoxy-N-(p-tolyl)benzenesulfonamide
CID 71584280
N-(4-Ethoxyphenyl)-4-methylbenzenesulfonamide
CID 284083
1-[(4-Tert-butylphenyl)sulfonyl]-4-(4-methoxyphenyl)piperazine
CID 3860166
6-Methoxy-2,2,4-trimethyl-1-[(4-methylphenyl)sulfonyl]-1,2-dihydroquinoline
CID 988603
6-Ethoxy-2,2,4-trimethyl-1-[(4-methylphenyl)sulfonyl]-1,2-dihydroquinoline
CID 1069778
N-[(2,2-dimethylchromen-6-yl)methyl]-3,5-dimethyl-N-phenylbenzenesulfonamide
CID 53472867
N-[(2,2-dimethylchromen-6-yl)methyl]-4-methoxy-N-phenylbenzenesulfonamide
CID 54575619
N-(4-ethylphenyl)-N-(2-methylpropyl)-4-(oxan-4-ylmethoxy)benzenesulfonamide
CID 121414113
N-(2-hydroxy-3-piperidin-1-ylpropyl)-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide
CID 648178
N-(4-phenylmethoxyphenyl)benzenesulfonamide
CID 799154
4-[({[4-(Benzyloxy)phenyl]amino}carbonothioyl)amino]benzenesulfonamide
CID 1296632
[4-(N-(4-methylphenyl)sulfonylanilino)phenyl] acetate
CID 2302739

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-[4-[(3-methylphenyl)methoxy]phenyl]benzenesulfonamide?
The IUPAC name of N,4-dimethyl-N-[4-[(3-methylphenyl)methoxy]phenyl]benzenesulfonamide (CID 24819423) is N,4-dimethyl-N-[4-[(3-methylphenyl)methoxy]phenyl]benzenesulfonamide.
What is the SMILES notation for N,4-dimethyl-N-[4-[(3-methylphenyl)methoxy]phenyl]benzenesulfonamide?
The canonical SMILES for N,4-dimethyl-N-[4-[(3-methylphenyl)methoxy]phenyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)N(C)c2ccc(OCc3cccc(C)c3)cc2)cc1.
What is the InChIKey of N,4-dimethyl-N-[4-[(3-methylphenyl)methoxy]phenyl]benzenesulfonamide?
The InChIKey is GHSIOVGSJZLZID-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO3S/c1-17-7-13-22(14-8-17)27(24,25)23(3)20-9-11-21(12-10-20)26-16-19-6-4-5-18(2)15-19/h4-15H,16H2,1-3H3.
What are the key properties of N,4-dimethyl-N-[4-[(3-methylphenyl)methoxy]phenyl]benzenesulfonamide?
N,4-dimethyl-N-[4-[(3-methylphenyl)methoxy]phenyl]benzenesulfonamide has a molecular weight of 381.50 g/mol, XLogP of 4.71, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-[4-[(3-methylphenyl)methoxy]phenyl]benzenesulfonamide is sourced from PubChem (CID 24819423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).