N-[(4-methoxyphenyl)methyl]-N-[(1-methylpyrrol-2-yl)methyl]benzenesulfonamide

C20H22N2O3S — CID 2809786

IUPACN-[(4-methoxyphenyl)methyl]-N-[(1-methylpyrrol-2-yl)methyl]benzenesulfonamide
SMILESCOc1ccc(CN(Cc2cccn2C)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C20H22N2O3S/c1-21-14-6-7-18(21)16-22(15-17-10-12-19(25-2)13-11-17)26(23,24)20-8-4-3-5-9-20/h3-14H,15-16H2,1-2H3
InChIKeyWWVNBBBBLKHCLY-UHFFFAOYSA-N
MW370.47 g/mol
LogP3.42
Rot. Bonds7

About N-[(4-methoxyphenyl)methyl]-N-[(1-methylpyrrol-2-yl)methyl]benzenesulfonamide

N-[(4-methoxyphenyl)methyl]-N-[(1-methylpyrrol-2-yl)methyl]benzenesulfonamide (PubChem CID 2809786) has the molecular formula C20H22N2O3S and a molecular weight of 370.47 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-N-[(1-methylpyrrol-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-N-[(1-methylpyrrol-2-yl)methyl]benzenesulfonamide
PubChem CID2809786
Molecular FormulaC20H22N2O3S
Molecular Weight370.47 g/mol
Exact Mass370.14
IUPAC NameN-[(4-methoxyphenyl)methyl]-N-[(1-methylpyrrol-2-yl)methyl]benzenesulfonamide
SMILESCOc1ccc(CN(Cc2cccn2C)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C20H22N2O3S/c1-21-14-6-7-18(21)16-22(15-17-10-12-19(25-2)13-11-17)26(23,24)20-8-4-3-5-9-20/h3-14H,15-16H2,1-2H3
InChIKeyWWVNBBBBLKHCLY-UHFFFAOYSA-N
XLogP3.42
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-N-[(1-methylpyrrol-2-yl)methyl]benzenesulfonamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-N-[(1-methylpyrrol-2-yl)methyl]benzenesulfonamide (CID 2809786) is N-[(4-methoxyphenyl)methyl]-N-[(1-methylpyrrol-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-N-[(1-methylpyrrol-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-N-[(1-methylpyrrol-2-yl)methyl]benzenesulfonamide is COc1ccc(CN(Cc2cccn2C)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-N-[(1-methylpyrrol-2-yl)methyl]benzenesulfonamide?
The InChIKey is WWVNBBBBLKHCLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3S/c1-21-14-6-7-18(21)16-22(15-17-10-12-19(25-2)13-11-17)26(23,24)20-8-4-3-5-9-20/h3-14H,15-16H2,1-2H3.
What are the key properties of N-[(4-methoxyphenyl)methyl]-N-[(1-methylpyrrol-2-yl)methyl]benzenesulfonamide?
N-[(4-methoxyphenyl)methyl]-N-[(1-methylpyrrol-2-yl)methyl]benzenesulfonamide has a molecular weight of 370.47 g/mol, XLogP of 3.42, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-N-[(1-methylpyrrol-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 2809786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).