2,4-dimethoxy-N-(1H-pyrrol-3-ylmethyl)benzenesulfonamide

C13H16N2O4S — CID 110782771

IUPAC2,4-dimethoxy-N-(1H-pyrrol-3-ylmethyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2cc[nH]c2)c(OC)c1
InChIInChI=1S/C13H16N2O4S/c1-18-11-3-4-13(12(7-11)19-2)20(16,17)15-9-10-5-6-14-8-10/h3-8,14-15H,9H2,1-2H3
InChIKeyACUPLPIGQZLLGW-UHFFFAOYSA-N
MW296.35 g/mol
LogP1.51
Rot. Bonds6

About 2,4-dimethoxy-N-(1H-pyrrol-3-ylmethyl)benzenesulfonamide

2,4-dimethoxy-N-(1H-pyrrol-3-ylmethyl)benzenesulfonamide (PubChem CID 110782771) has the molecular formula C13H16N2O4S and a molecular weight of 296.35 g/mol. Its IUPAC name is 2,4-dimethoxy-N-(1H-pyrrol-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2,4-dimethoxy-N-(1H-pyrrol-3-ylmethyl)benzenesulfonamide
PubChem CID110782771
Molecular FormulaC13H16N2O4S
Molecular Weight296.35 g/mol
Exact Mass296.08
IUPAC Name2,4-dimethoxy-N-(1H-pyrrol-3-ylmethyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2cc[nH]c2)c(OC)c1
InChIInChI=1S/C13H16N2O4S/c1-18-11-3-4-13(12(7-11)19-2)20(16,17)15-9-10-5-6-14-8-10/h3-8,14-15H,9H2,1-2H3
InChIKeyACUPLPIGQZLLGW-UHFFFAOYSA-N
XLogP1.51
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2,4-dimethoxybenzenesulfonamide
CID 17375991
4-methoxy-2,5-dimethyl-N-(1H-pyrrol-3-ylmethyl)benzenesulfonamide
CID 110782776
4-methoxy-2-methyl-N-[2-(1H-pyrrol-3-yl)ethyl]benzenesulfonamide
CID 110789435
N-[(3,4-dichlorophenyl)methyl]-2,4-dimethoxybenzenesulfonamide
CID 17375973
2,4-dimethoxy-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 6468216
2,4-dimethoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 19682467
N-[(2,5-dimethylfuran-3-yl)methyl]-2,4-dimethoxybenzenesulfonamide
CID 90536208
2,4-dimethoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide
CID 61021419
N-[2-(ethylamino)ethyl]-2,4-dimethoxybenzenesulfonamide
CID 62664941
N-[(5-amino-1H-pyrazol-4-yl)methyl]-2,4-dimethoxybenzenesulfonamide
CID 79529534
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,4-dimethoxybenzenesulfonamide
CID 22209419
N-[2-(3,5-dimethoxyphenoxy)ethyl]-2,4-dimethoxybenzenesulfonamide
CID 113102102

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-N-(1H-pyrrol-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 2,4-dimethoxy-N-(1H-pyrrol-3-ylmethyl)benzenesulfonamide (CID 110782771) is 2,4-dimethoxy-N-(1H-pyrrol-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 2,4-dimethoxy-N-(1H-pyrrol-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 2,4-dimethoxy-N-(1H-pyrrol-3-ylmethyl)benzenesulfonamide is COc1ccc(S(=O)(=O)NCc2cc[nH]c2)c(OC)c1.
What is the InChIKey of 2,4-dimethoxy-N-(1H-pyrrol-3-ylmethyl)benzenesulfonamide?
The InChIKey is ACUPLPIGQZLLGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4S/c1-18-11-3-4-13(12(7-11)19-2)20(16,17)15-9-10-5-6-14-8-10/h3-8,14-15H,9H2,1-2H3.
What are the key properties of 2,4-dimethoxy-N-(1H-pyrrol-3-ylmethyl)benzenesulfonamide?
2,4-dimethoxy-N-(1H-pyrrol-3-ylmethyl)benzenesulfonamide has a molecular weight of 296.35 g/mol, XLogP of 1.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-N-(1H-pyrrol-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 110782771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).