4-methoxy-2-methyl-N-[2-(1H-pyrrol-3-yl)ethyl]benzenesulfonamide

C14H18N2O3S — CID 110789435

IUPAC4-methoxy-2-methyl-N-[2-(1H-pyrrol-3-yl)ethyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCc2cc[nH]c2)c(C)c1
InChIInChI=1S/C14H18N2O3S/c1-11-9-13(19-2)3-4-14(11)20(17,18)16-8-6-12-5-7-15-10-12/h3-5,7,9-10,15-16H,6,8H2,1-2H3
InChIKeyAQMKOARINXYPTG-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.85
Rot. Bonds6

About 4-methoxy-2-methyl-N-[2-(1H-pyrrol-3-yl)ethyl]benzenesulfonamide

4-methoxy-2-methyl-N-[2-(1H-pyrrol-3-yl)ethyl]benzenesulfonamide (PubChem CID 110789435) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is 4-methoxy-2-methyl-N-[2-(1H-pyrrol-3-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-2-methyl-N-[2-(1H-pyrrol-3-yl)ethyl]benzenesulfonamide
PubChem CID110789435
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Name4-methoxy-2-methyl-N-[2-(1H-pyrrol-3-yl)ethyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCc2cc[nH]c2)c(C)c1
InChIInChI=1S/C14H18N2O3S/c1-11-9-13(19-2)3-4-14(11)20(17,18)16-8-6-12-5-7-15-10-12/h3-5,7,9-10,15-16H,6,8H2,1-2H3
InChIKeyAQMKOARINXYPTG-UHFFFAOYSA-N
XLogP1.85
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-2,6-dimethyl-N-[2-(1H-pyrrol-3-yl)ethyl]benzenesulfonamide
CID 110789471
2,4-dimethoxy-N-(1H-pyrrol-3-ylmethyl)benzenesulfonamide
CID 110782771
4-methoxy-2-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 119972995
N-[2-(2-hydroxyphenyl)ethyl]-4-methoxy-2-methylbenzenesulfonamide
CID 110605307
5-methoxy-N-[2-[(5-methoxy-2-methylphenyl)sulfonylamino]ethyl]-2-methylbenzenesulfonamide
CID 58807083
4-methoxy-2-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 47316710
N-[2-(2,5-difluorophenyl)ethyl]-4-methoxy-2-methylbenzenesulfonamide
CID 110788206
4-methoxy-2-methyl-N-[3-(4-sulfamoylphenyl)propyl]benzenesulfonamide
CID 110293800
4-methoxy-2,5-dimethyl-N-(1H-pyrrol-3-ylmethyl)benzenesulfonamide
CID 110782776
N-[2-(3,5-dimethylphenoxy)ethyl]-4-methoxy-2-methylbenzenesulfonamide
CID 113101002
N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-4-methoxy-2-methylbenzenesulfonamide
CID 113103104
N-[2-(3-methoxyphenyl)ethyl]-2,5-dimethylbenzenesulfonamide
CID 113098177

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methyl-N-[2-(1H-pyrrol-3-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-2-methyl-N-[2-(1H-pyrrol-3-yl)ethyl]benzenesulfonamide (CID 110789435) is 4-methoxy-2-methyl-N-[2-(1H-pyrrol-3-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-2-methyl-N-[2-(1H-pyrrol-3-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-2-methyl-N-[2-(1H-pyrrol-3-yl)ethyl]benzenesulfonamide is COc1ccc(S(=O)(=O)NCCc2cc[nH]c2)c(C)c1.
What is the InChIKey of 4-methoxy-2-methyl-N-[2-(1H-pyrrol-3-yl)ethyl]benzenesulfonamide?
The InChIKey is AQMKOARINXYPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-11-9-13(19-2)3-4-14(11)20(17,18)16-8-6-12-5-7-15-10-12/h3-5,7,9-10,15-16H,6,8H2,1-2H3.
What are the key properties of 4-methoxy-2-methyl-N-[2-(1H-pyrrol-3-yl)ethyl]benzenesulfonamide?
4-methoxy-2-methyl-N-[2-(1H-pyrrol-3-yl)ethyl]benzenesulfonamide has a molecular weight of 294.38 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methyl-N-[2-(1H-pyrrol-3-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 110789435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).