5-ethylsulfanyl-2-methoxy-4-[(4-methylphenyl)sulfonylamino]benzoic acid

C17H19NO5S2 — CID 169373387

IUPAC5-ethylsulfanyl-2-methoxy-4-[(4-methylphenyl)sulfonylamino]benzoic acid
SMILESCCSc1cc(C(=O)O)c(OC)cc1NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C17H19NO5S2/c1-4-24-16-9-13(17(19)20)15(23-3)10-14(16)18-25(21,22)12-7-5-11(2)6-8-12/h5-10,18H,4H2,1-3H3,(H,19,20)
InChIKeySDDAZUNQEUZSLB-UHFFFAOYSA-N
MW381.48 g/mol
LogP3.61
Rot. Bonds7

About 5-ethylsulfanyl-2-methoxy-4-[(4-methylphenyl)sulfonylamino]benzoic acid

5-ethylsulfanyl-2-methoxy-4-[(4-methylphenyl)sulfonylamino]benzoic acid (PubChem CID 169373387) has the molecular formula C17H19NO5S2 and a molecular weight of 381.48 g/mol. Its IUPAC name is 5-ethylsulfanyl-2-methoxy-4-[(4-methylphenyl)sulfonylamino]benzoic acid.

Molecular Properties

Compound Name5-ethylsulfanyl-2-methoxy-4-[(4-methylphenyl)sulfonylamino]benzoic acid
PubChem CID169373387
Molecular FormulaC17H19NO5S2
Molecular Weight381.48 g/mol
Exact Mass381.07
IUPAC Name5-ethylsulfanyl-2-methoxy-4-[(4-methylphenyl)sulfonylamino]benzoic acid
SMILESCCSc1cc(C(=O)O)c(OC)cc1NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C17H19NO5S2/c1-4-24-16-9-13(17(19)20)15(23-3)10-14(16)18-25(21,22)12-7-5-11(2)6-8-12/h5-10,18H,4H2,1-3H3,(H,19,20)
InChIKeySDDAZUNQEUZSLB-UHFFFAOYSA-N
XLogP3.61
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-ethylsulfanyl-2-methoxy-4-[(4-methylphenyl)sulfonylamino]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-ethylsulfanyl-2-methoxy-4-(1,2,2-tricyanoethenylamino)benzoic acid
CID 168610714
4-methoxy-3-[(4-methylphenyl)sulfonylamino]benzoic acid
CID 4126284
2-methoxy-4-[(4-methylphenyl)sulfamoyl]benzoic acid
CID 57119574
4-methyl-N-(2,4,5-trimethoxyphenyl)benzenesulfonamide
CID 101056071
2-methoxy-6-[(4-methylphenyl)sulfonylamino]benzoic acid
CID 122220864
2-[(4-hexylphenyl)sulfonylamino]-4,5-dimethoxybenzoic acid
CID 84552363
N-[2-methoxy-4-[[3-methoxy-4-[(4-methylphenyl)sulfonylamino]phenyl]methyl]phenyl]-4-methylbenzenesulfonamide
CID 1101866
2-[(4-ethylphenyl)sulfonylamino]-5-methylbenzoic acid
CID 51114828
5-[(2-fluorophenyl)sulfamoyl]-2-methoxybenzoic acid
CID 56812258
2-methoxy-5-(pentan-2-ylsulfamoyl)benzoic acid
CID 43141079
2-ethoxy-5-[(4-methylphenyl)sulfamoyl]benzoic acid
CID 56808508
N-[4-bromo-2-(2-methoxybenzoyl)phenyl]-4-methylbenzenesulfonamide
CID 90931768

Frequently Asked Questions

What is the IUPAC name of 5-ethylsulfanyl-2-methoxy-4-[(4-methylphenyl)sulfonylamino]benzoic acid?
The IUPAC name of 5-ethylsulfanyl-2-methoxy-4-[(4-methylphenyl)sulfonylamino]benzoic acid (CID 169373387) is 5-ethylsulfanyl-2-methoxy-4-[(4-methylphenyl)sulfonylamino]benzoic acid.
What is the SMILES notation for 5-ethylsulfanyl-2-methoxy-4-[(4-methylphenyl)sulfonylamino]benzoic acid?
The canonical SMILES for 5-ethylsulfanyl-2-methoxy-4-[(4-methylphenyl)sulfonylamino]benzoic acid is CCSc1cc(C(=O)O)c(OC)cc1NS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 5-ethylsulfanyl-2-methoxy-4-[(4-methylphenyl)sulfonylamino]benzoic acid?
The InChIKey is SDDAZUNQEUZSLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO5S2/c1-4-24-16-9-13(17(19)20)15(23-3)10-14(16)18-25(21,22)12-7-5-11(2)6-8-12/h5-10,18H,4H2,1-3H3,(H,19,20).
What are the key properties of 5-ethylsulfanyl-2-methoxy-4-[(4-methylphenyl)sulfonylamino]benzoic acid?
5-ethylsulfanyl-2-methoxy-4-[(4-methylphenyl)sulfonylamino]benzoic acid has a molecular weight of 381.48 g/mol, XLogP of 3.61, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylsulfanyl-2-methoxy-4-[(4-methylphenyl)sulfonylamino]benzoic acid is sourced from PubChem (CID 169373387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).