4-methoxy-2-methyl-N-[3-(4-sulfamoylphenyl)propyl]benzenesulfonamide

C17H22N2O5S2 — CID 110293800

IUPAC4-methoxy-2-methyl-N-[3-(4-sulfamoylphenyl)propyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCCc2ccc(S(N)(=O)=O)cc2)c(C)c1
InChIInChI=1S/C17H22N2O5S2/c1-13-12-15(24-2)7-10-17(13)26(22,23)19-11-3-4-14-5-8-16(9-6-14)25(18,20)21/h5-10,12,19H,3-4,11H2,1-2H3,(H2,18,20,21)
InChIKeySNMBFMCECQIZQR-UHFFFAOYSA-N
MW398.51 g/mol
LogP1.56
Rot. Bonds8

About 4-methoxy-2-methyl-N-[3-(4-sulfamoylphenyl)propyl]benzenesulfonamide

4-methoxy-2-methyl-N-[3-(4-sulfamoylphenyl)propyl]benzenesulfonamide (PubChem CID 110293800) has the molecular formula C17H22N2O5S2 and a molecular weight of 398.51 g/mol. Its IUPAC name is 4-methoxy-2-methyl-N-[3-(4-sulfamoylphenyl)propyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-2-methyl-N-[3-(4-sulfamoylphenyl)propyl]benzenesulfonamide
PubChem CID110293800
Molecular FormulaC17H22N2O5S2
Molecular Weight398.51 g/mol
Exact Mass398.10
IUPAC Name4-methoxy-2-methyl-N-[3-(4-sulfamoylphenyl)propyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCCc2ccc(S(N)(=O)=O)cc2)c(C)c1
InChIInChI=1S/C17H22N2O5S2/c1-13-12-15(24-2)7-10-17(13)26(22,23)19-11-3-4-14-5-8-16(9-6-14)25(18,20)21/h5-10,12,19H,3-4,11H2,1-2H3,(H2,18,20,21)
InChIKeySNMBFMCECQIZQR-UHFFFAOYSA-N
XLogP1.56
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-2-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 119972995
N-[2-(2-hydroxyphenyl)ethyl]-4-methoxy-2-methylbenzenesulfonamide
CID 110605307
4-methoxy-2-methyl-N-[2-(1H-pyrrol-3-yl)ethyl]benzenesulfonamide
CID 110789435
4-[3-(ethylsulfonylamino)propyl]benzenesulfonamide
CID 54931498
N-[2-(3,5-dimethylphenoxy)ethyl]-4-methoxy-2-methylbenzenesulfonamide
CID 113101002
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-(4-aminobutyl)-2-bromo-4-methoxybenzenesulfonamide
CID 120713433
4-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]benzenesulfonamide
CID 2442104
N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-4-methoxy-2-methylbenzenesulfonamide
CID 113103104
N-[(3,4-difluorophenyl)methyl]-4-methoxy-2-methylbenzenesulfonamide
CID 110781066
N-[2-(2,5-difluorophenyl)ethyl]-4-methoxy-2-methylbenzenesulfonamide
CID 110788206

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methyl-N-[3-(4-sulfamoylphenyl)propyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-2-methyl-N-[3-(4-sulfamoylphenyl)propyl]benzenesulfonamide (CID 110293800) is 4-methoxy-2-methyl-N-[3-(4-sulfamoylphenyl)propyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-2-methyl-N-[3-(4-sulfamoylphenyl)propyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-2-methyl-N-[3-(4-sulfamoylphenyl)propyl]benzenesulfonamide is COc1ccc(S(=O)(=O)NCCCc2ccc(S(N)(=O)=O)cc2)c(C)c1.
What is the InChIKey of 4-methoxy-2-methyl-N-[3-(4-sulfamoylphenyl)propyl]benzenesulfonamide?
The InChIKey is SNMBFMCECQIZQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O5S2/c1-13-12-15(24-2)7-10-17(13)26(22,23)19-11-3-4-14-5-8-16(9-6-14)25(18,20)21/h5-10,12,19H,3-4,11H2,1-2H3,(H2,18,20,21).
What are the key properties of 4-methoxy-2-methyl-N-[3-(4-sulfamoylphenyl)propyl]benzenesulfonamide?
4-methoxy-2-methyl-N-[3-(4-sulfamoylphenyl)propyl]benzenesulfonamide has a molecular weight of 398.51 g/mol, XLogP of 1.56, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methyl-N-[3-(4-sulfamoylphenyl)propyl]benzenesulfonamide is sourced from PubChem (CID 110293800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).