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

C21H24N2O3S — CID 2809788

IUPACN-[(4-methoxyphenyl)methyl]-4-methyl-N-[(1-methylpyrrol-2-yl)methyl]benzenesulfonamide
SMILESCOc1ccc(CN(Cc2cccn2C)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C21H24N2O3S/c1-17-6-12-21(13-7-17)27(24,25)23(16-19-5-4-14-22(19)2)15-18-8-10-20(26-3)11-9-18/h4-14H,15-16H2,1-3H3
InChIKeyDVFOCCQHCXEVST-UHFFFAOYSA-N
MW384.50 g/mol
LogP3.73
Rot. Bonds7

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

N-[(4-methoxyphenyl)methyl]-4-methyl-N-[(1-methylpyrrol-2-yl)methyl]benzenesulfonamide (PubChem CID 2809788) has the molecular formula C21H24N2O3S and a molecular weight of 384.50 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-4-methyl-N-[(1-methylpyrrol-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-4-methyl-N-[(1-methylpyrrol-2-yl)methyl]benzenesulfonamide
PubChem CID2809788
Molecular FormulaC21H24N2O3S
Molecular Weight384.50 g/mol
Exact Mass384.15
IUPAC NameN-[(4-methoxyphenyl)methyl]-4-methyl-N-[(1-methylpyrrol-2-yl)methyl]benzenesulfonamide
SMILESCOc1ccc(CN(Cc2cccn2C)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C21H24N2O3S/c1-17-6-12-21(13-7-17)27(24,25)23(16-19-5-4-14-22(19)2)15-18-8-10-20(26-3)11-9-18/h4-14H,15-16H2,1-3H3
InChIKeyDVFOCCQHCXEVST-UHFFFAOYSA-N
XLogP3.73
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 53.73
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]-4-methyl-N-[(1-methylpyrrol-2-yl)methyl]benzenesulfonamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-4-methyl-N-[(1-methylpyrrol-2-yl)methyl]benzenesulfonamide (CID 2809788) is N-[(4-methoxyphenyl)methyl]-4-methyl-N-[(1-methylpyrrol-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-4-methyl-N-[(1-methylpyrrol-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-4-methyl-N-[(1-methylpyrrol-2-yl)methyl]benzenesulfonamide is COc1ccc(CN(Cc2cccn2C)S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-4-methyl-N-[(1-methylpyrrol-2-yl)methyl]benzenesulfonamide?
The InChIKey is DVFOCCQHCXEVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3S/c1-17-6-12-21(13-7-17)27(24,25)23(16-19-5-4-14-22(19)2)15-18-8-10-20(26-3)11-9-18/h4-14H,15-16H2,1-3H3.
What are the key properties of N-[(4-methoxyphenyl)methyl]-4-methyl-N-[(1-methylpyrrol-2-yl)methyl]benzenesulfonamide?
N-[(4-methoxyphenyl)methyl]-4-methyl-N-[(1-methylpyrrol-2-yl)methyl]benzenesulfonamide has a molecular weight of 384.50 g/mol, XLogP of 3.73, 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]-4-methyl-N-[(1-methylpyrrol-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 2809788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).