4-methoxy-2-methyl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]benzenesulfonamide

C16H22N2O3S — CID 110642092

IUPAC4-methoxy-2-methyl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2cc(C)n(C)c2C)c(C)c1
InChIInChI=1S/C16H22N2O3S/c1-11-8-15(21-5)6-7-16(11)22(19,20)17-10-14-9-12(2)18(4)13(14)3/h6-9,17H,10H2,1-5H3
InChIKeyYRHMFJCLPOABPZ-UHFFFAOYSA-N
MW322.43 g/mol
LogP2.44
Rot. Bonds5

About 4-methoxy-2-methyl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]benzenesulfonamide

4-methoxy-2-methyl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]benzenesulfonamide (PubChem CID 110642092) has the molecular formula C16H22N2O3S and a molecular weight of 322.43 g/mol. Its IUPAC name is 4-methoxy-2-methyl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-2-methyl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]benzenesulfonamide
PubChem CID110642092
Molecular FormulaC16H22N2O3S
Molecular Weight322.43 g/mol
Exact Mass322.14
IUPAC Name4-methoxy-2-methyl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2cc(C)n(C)c2C)c(C)c1
InChIInChI=1S/C16H22N2O3S/c1-11-8-15(21-5)6-7-16(11)22(19,20)17-10-14-9-12(2)18(4)13(14)3/h6-9,17H,10H2,1-5H3
InChIKeyYRHMFJCLPOABPZ-UHFFFAOYSA-N
XLogP2.44
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-4,5-dimethyl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]benzenesulfonamide
CID 110642099
4-methoxy-2-methyl-N-[(3-methyl-1,2-oxazol-4-yl)methyl]benzenesulfonamide
CID 126821555
N-[(5-methoxy-1-methylindol-3-yl)methyl]-2,4-dimethylbenzenesulfonamide
CID 110371530
4-methoxy-2-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 119972995
4-methoxy-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-methylbenzenesulfonamide
CID 110324955
N-[(3,4-difluorophenyl)methyl]-4-methoxy-2-methylbenzenesulfonamide
CID 110781066
N-[(5-chlorofuran-2-yl)methyl]-4-methoxy-2-methylbenzenesulfonamide
CID 110732049
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,4-dimethoxybenzenesulfonamide
CID 22209419
N-[(2,4-dimethoxyphenyl)methyl]-2-methylbenzenesulfonamide
CID 110780745
3-chloro-4-methyl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]benzenesulfonamide
CID 110642107
4-methoxy-2-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 47319452
N-[[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methyl]-2,5-dimethoxybenzenesulfonamide
CID 20963963

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methyl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-2-methyl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]benzenesulfonamide (CID 110642092) is 4-methoxy-2-methyl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-2-methyl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-2-methyl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]benzenesulfonamide is COc1ccc(S(=O)(=O)NCc2cc(C)n(C)c2C)c(C)c1.
What is the InChIKey of 4-methoxy-2-methyl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]benzenesulfonamide?
The InChIKey is YRHMFJCLPOABPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3S/c1-11-8-15(21-5)6-7-16(11)22(19,20)17-10-14-9-12(2)18(4)13(14)3/h6-9,17H,10H2,1-5H3.
What are the key properties of 4-methoxy-2-methyl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]benzenesulfonamide?
4-methoxy-2-methyl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]benzenesulfonamide has a molecular weight of 322.43 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methyl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 110642092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).