N-[4-[[1-(2-methoxyethyl)pyrrol-2-yl]methyl]phenyl]-N-methylbenzenesulfonamide

C21H24N2O3S — CID 10215928

IUPACN-[4-[[1-(2-methoxyethyl)pyrrol-2-yl]methyl]phenyl]-N-methylbenzenesulfonamide
SMILESCOCCn1cccc1Cc1ccc(N(C)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C21H24N2O3S/c1-22(27(24,25)21-8-4-3-5-9-21)19-12-10-18(11-13-19)17-20-7-6-14-23(20)15-16-26-2/h3-14H,15-17H2,1-2H3
InChIKeyJWPJRGPCFRLVPM-UHFFFAOYSA-N
MW384.50 g/mol
LogP3.55
Rot. Bonds8

About N-[4-[[1-(2-methoxyethyl)pyrrol-2-yl]methyl]phenyl]-N-methylbenzenesulfonamide

N-[4-[[1-(2-methoxyethyl)pyrrol-2-yl]methyl]phenyl]-N-methylbenzenesulfonamide (PubChem CID 10215928) has the molecular formula C21H24N2O3S and a molecular weight of 384.50 g/mol. Its IUPAC name is N-[4-[[1-(2-methoxyethyl)pyrrol-2-yl]methyl]phenyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-[[1-(2-methoxyethyl)pyrrol-2-yl]methyl]phenyl]-N-methylbenzenesulfonamide
PubChem CID10215928
Molecular FormulaC21H24N2O3S
Molecular Weight384.50 g/mol
Exact Mass384.15
IUPAC NameN-[4-[[1-(2-methoxyethyl)pyrrol-2-yl]methyl]phenyl]-N-methylbenzenesulfonamide
SMILESCOCCn1cccc1Cc1ccc(N(C)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C21H24N2O3S/c1-22(27(24,25)21-8-4-3-5-9-21)19-12-10-18(11-13-19)17-20-7-6-14-23(20)15-16-26-2/h3-14H,15-17H2,1-2H3
InChIKeyJWPJRGPCFRLVPM-UHFFFAOYSA-N
XLogP3.55
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[1-(2-methoxyethyl)pyrrol-2-yl]methyl]phenyl]-N-methylbenzenesulfonamide?
The IUPAC name of N-[4-[[1-(2-methoxyethyl)pyrrol-2-yl]methyl]phenyl]-N-methylbenzenesulfonamide (CID 10215928) is N-[4-[[1-(2-methoxyethyl)pyrrol-2-yl]methyl]phenyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for N-[4-[[1-(2-methoxyethyl)pyrrol-2-yl]methyl]phenyl]-N-methylbenzenesulfonamide?
The canonical SMILES for N-[4-[[1-(2-methoxyethyl)pyrrol-2-yl]methyl]phenyl]-N-methylbenzenesulfonamide is COCCn1cccc1Cc1ccc(N(C)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of N-[4-[[1-(2-methoxyethyl)pyrrol-2-yl]methyl]phenyl]-N-methylbenzenesulfonamide?
The InChIKey is JWPJRGPCFRLVPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3S/c1-22(27(24,25)21-8-4-3-5-9-21)19-12-10-18(11-13-19)17-20-7-6-14-23(20)15-16-26-2/h3-14H,15-17H2,1-2H3.
What are the key properties of N-[4-[[1-(2-methoxyethyl)pyrrol-2-yl]methyl]phenyl]-N-methylbenzenesulfonamide?
N-[4-[[1-(2-methoxyethyl)pyrrol-2-yl]methyl]phenyl]-N-methylbenzenesulfonamide has a molecular weight of 384.50 g/mol, XLogP of 3.55, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[1-(2-methoxyethyl)pyrrol-2-yl]methyl]phenyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 10215928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).