4-methoxy-N-(4-methoxyphenyl)-N-methyl-3-(1H-pyrrol-2-yl)benzenesulfonamide

C19H20N2O4S — CID 67760365

IUPAC4-methoxy-N-(4-methoxyphenyl)-N-methyl-3-(1H-pyrrol-2-yl)benzenesulfonamide
SMILESCOc1ccc(N(C)S(=O)(=O)c2ccc(OC)c(-c3ccc[nH]3)c2)cc1
InChIInChI=1S/C19H20N2O4S/c1-21(14-6-8-15(24-2)9-7-14)26(22,23)16-10-11-19(25-3)17(13-16)18-5-4-12-20-18/h4-13,20H,1-3H3
InChIKeyDGQRTLTUIBDHOW-UHFFFAOYSA-N
MW372.45 g/mol
LogP3.52
Rot. Bonds6

About 4-methoxy-N-(4-methoxyphenyl)-N-methyl-3-(1H-pyrrol-2-yl)benzenesulfonamide

4-methoxy-N-(4-methoxyphenyl)-N-methyl-3-(1H-pyrrol-2-yl)benzenesulfonamide (PubChem CID 67760365) has the molecular formula C19H20N2O4S and a molecular weight of 372.45 g/mol. Its IUPAC name is 4-methoxy-N-(4-methoxyphenyl)-N-methyl-3-(1H-pyrrol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-(4-methoxyphenyl)-N-methyl-3-(1H-pyrrol-2-yl)benzenesulfonamide
PubChem CID67760365
Molecular FormulaC19H20N2O4S
Molecular Weight372.45 g/mol
Exact Mass372.11
IUPAC Name4-methoxy-N-(4-methoxyphenyl)-N-methyl-3-(1H-pyrrol-2-yl)benzenesulfonamide
SMILESCOc1ccc(N(C)S(=O)(=O)c2ccc(OC)c(-c3ccc[nH]3)c2)cc1
InChIInChI=1S/C19H20N2O4S/c1-21(14-6-8-15(24-2)9-7-14)26(22,23)16-10-11-19(25-3)17(13-16)18-5-4-12-20-18/h4-13,20H,1-3H3
InChIKeyDGQRTLTUIBDHOW-UHFFFAOYSA-N
XLogP3.52
TPSA71.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(benzenesulfonyl)-2-methoxyphenyl]-1H-pyrrole
CID 22403085
3-hydroxy-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide
CID 81258864
N-(4-methoxyphenyl)-N-methyl-6-oxo-5H-benzo[b][1,4]benzoxazepine-8-sulfonamide
CID 50812416
3-chloro-N-(4-fluorophenyl)-4-methoxy-N-methylbenzenesulfonamide
CID 94621880
[4-[(4-methoxyphenyl)sulfonyl-methylamino]phenyl] 3,4-dimethoxybenzoate
CID 71904208
3-amino-4-methoxy-N-methyl-N-phenylbenzenesulfonamide
CID 28542327
N-(4-ethoxyphenyl)-3-fluoro-4-methoxy-N-methylbenzenesulfonamide
CID 99705186
methyl 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate
CID 8871525
3-chloro-4-methoxy-N-(3-methoxyphenyl)-N-methylbenzenesulfonamide
CID 100511071
N-(3,5-dimethylphenyl)-4-methoxy-N-methylbenzenesulfonamide
CID 94622750
3,4-dimethoxy-N-[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]-N-methylbenzenesulfonamide
CID 126410630
N-(3,4-difluorophenyl)-4-methoxy-N-methylbenzenesulfonamide
CID 94661208

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(4-methoxyphenyl)-N-methyl-3-(1H-pyrrol-2-yl)benzenesulfonamide?
The IUPAC name of 4-methoxy-N-(4-methoxyphenyl)-N-methyl-3-(1H-pyrrol-2-yl)benzenesulfonamide (CID 67760365) is 4-methoxy-N-(4-methoxyphenyl)-N-methyl-3-(1H-pyrrol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-(4-methoxyphenyl)-N-methyl-3-(1H-pyrrol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-(4-methoxyphenyl)-N-methyl-3-(1H-pyrrol-2-yl)benzenesulfonamide is COc1ccc(N(C)S(=O)(=O)c2ccc(OC)c(-c3ccc[nH]3)c2)cc1.
What is the InChIKey of 4-methoxy-N-(4-methoxyphenyl)-N-methyl-3-(1H-pyrrol-2-yl)benzenesulfonamide?
The InChIKey is DGQRTLTUIBDHOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4S/c1-21(14-6-8-15(24-2)9-7-14)26(22,23)16-10-11-19(25-3)17(13-16)18-5-4-12-20-18/h4-13,20H,1-3H3.
What are the key properties of 4-methoxy-N-(4-methoxyphenyl)-N-methyl-3-(1H-pyrrol-2-yl)benzenesulfonamide?
4-methoxy-N-(4-methoxyphenyl)-N-methyl-3-(1H-pyrrol-2-yl)benzenesulfonamide has a molecular weight of 372.45 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(4-methoxyphenyl)-N-methyl-3-(1H-pyrrol-2-yl)benzenesulfonamide is sourced from PubChem (CID 67760365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).