3-methoxy-N-[4-(3-methoxyphenyl)phenyl]-N-methylbenzenesulfonamide

C21H21NO4S — CID 73357096

IUPAC3-methoxy-N-[4-(3-methoxyphenyl)phenyl]-N-methylbenzenesulfonamide
SMILESCOc1cccc(-c2ccc(N(C)S(=O)(=O)c3cccc(OC)c3)cc2)c1
InChIInChI=1S/C21H21NO4S/c1-22(27(23,24)21-9-5-8-20(15-21)26-3)18-12-10-16(11-13-18)17-6-4-7-19(14-17)25-2/h4-15H,1-3H3
InChIKeyYFYJPTJQMCYDHJ-UHFFFAOYSA-N
MW383.47 g/mol
LogP4.20
Rot. Bonds6

About 3-methoxy-N-[4-(3-methoxyphenyl)phenyl]-N-methylbenzenesulfonamide

3-methoxy-N-[4-(3-methoxyphenyl)phenyl]-N-methylbenzenesulfonamide (PubChem CID 73357096) has the molecular formula C21H21NO4S and a molecular weight of 383.47 g/mol. Its IUPAC name is 3-methoxy-N-[4-(3-methoxyphenyl)phenyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-methoxy-N-[4-(3-methoxyphenyl)phenyl]-N-methylbenzenesulfonamide
PubChem CID73357096
Molecular FormulaC21H21NO4S
Molecular Weight383.47 g/mol
Exact Mass383.12
IUPAC Name3-methoxy-N-[4-(3-methoxyphenyl)phenyl]-N-methylbenzenesulfonamide
SMILESCOc1cccc(-c2ccc(N(C)S(=O)(=O)c3cccc(OC)c3)cc2)c1
InChIInChI=1S/C21H21NO4S/c1-22(27(23,24)21-9-5-8-20(15-21)26-3)18-12-10-16(11-13-18)17-6-4-7-19(14-17)25-2/h4-15H,1-3H3
InChIKeyYFYJPTJQMCYDHJ-UHFFFAOYSA-N
XLogP4.20
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-(Diethylamino)benzyl)-4-methoxy-N-(p-tolyl)benzenesulfonamide
CID 71584280
6-Methoxy-2,2,4-trimethyl-1-[(4-methylphenyl)sulfonyl]-1,2-dihydroquinoline
CID 988603
N-(4-ethylphenyl)-N-(2-methylpropyl)-4-(oxan-4-ylmethoxy)benzenesulfonamide
CID 121414113
N-(4-cycloheptyl-4-oxobutyl)-N-(4-cyclohexylphenyl)-4-methoxybenzenesulfonamide
CID 139532545
9-Methoxy-6-methylbenzo[c][1,2]benzothiazine 5,5-dioxide
CID 775733
N,4-dimethyl-N-[4-[(3-methylphenyl)methoxy]phenyl]benzenesulfonamide
CID 24819423
N-(2-methylpropyl)-N-[4-[1,1,1-trifluoro-2-hydroxy-4-(3-methoxyphenyl)but-3-yn-2-yl]phenyl]benzenesulfonamide
CID 70697169
N-benzyl-N-[[4-(diethylamino)phenyl]methyl]-4-methoxybenzenesulfonamide
CID 71623228
N-benzyl-N-[[4-(diethylamino)phenyl]methyl]-4-propan-2-yloxybenzenesulfonamide
CID 71623229
N-benzyl-N-[[4-(diethylamino)phenyl]methyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 71623230
N-[[4-(diethylamino)phenyl]methyl]-4-methoxy-N-phenylbenzenesulfonamide
CID 71624180
N-cyclohexyl-N-[[4-(diethylamino)phenyl]methyl]-4-methoxybenzenesulfonamide
CID 71624303

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[4-(3-methoxyphenyl)phenyl]-N-methylbenzenesulfonamide?
The IUPAC name of 3-methoxy-N-[4-(3-methoxyphenyl)phenyl]-N-methylbenzenesulfonamide (CID 73357096) is 3-methoxy-N-[4-(3-methoxyphenyl)phenyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 3-methoxy-N-[4-(3-methoxyphenyl)phenyl]-N-methylbenzenesulfonamide?
The canonical SMILES for 3-methoxy-N-[4-(3-methoxyphenyl)phenyl]-N-methylbenzenesulfonamide is COc1cccc(-c2ccc(N(C)S(=O)(=O)c3cccc(OC)c3)cc2)c1.
What is the InChIKey of 3-methoxy-N-[4-(3-methoxyphenyl)phenyl]-N-methylbenzenesulfonamide?
The InChIKey is YFYJPTJQMCYDHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO4S/c1-22(27(23,24)21-9-5-8-20(15-21)26-3)18-12-10-16(11-13-18)17-6-4-7-19(14-17)25-2/h4-15H,1-3H3.
What are the key properties of 3-methoxy-N-[4-(3-methoxyphenyl)phenyl]-N-methylbenzenesulfonamide?
3-methoxy-N-[4-(3-methoxyphenyl)phenyl]-N-methylbenzenesulfonamide has a molecular weight of 383.47 g/mol, XLogP of 4.20, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[4-(3-methoxyphenyl)phenyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 73357096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).