methyl 3-[(2-methyl-6-propan-2-ylphenyl)sulfamoyl]benzoate

C18H21NO4S — CID 99582827

IUPACmethyl 3-[(2-methyl-6-propan-2-ylphenyl)sulfamoyl]benzoate
SMILESCOC(=O)c1cccc(S(=O)(=O)Nc2c(C)cccc2C(C)C)c1
InChIInChI=1S/C18H21NO4S/c1-12(2)16-10-5-7-13(3)17(16)19-24(21,22)15-9-6-8-14(11-15)18(20)23-4/h5-12,19H,1-4H3
InChIKeyYDZJGCJSNCOBIF-UHFFFAOYSA-N
MW347.44 g/mol
LogP3.71
Rot. Bonds5

About methyl 3-[(2-methyl-6-propan-2-ylphenyl)sulfamoyl]benzoate

methyl 3-[(2-methyl-6-propan-2-ylphenyl)sulfamoyl]benzoate (PubChem CID 99582827) has the molecular formula C18H21NO4S and a molecular weight of 347.44 g/mol. Its IUPAC name is methyl 3-[(2-methyl-6-propan-2-ylphenyl)sulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 3-[(2-methyl-6-propan-2-ylphenyl)sulfamoyl]benzoate
PubChem CID99582827
Molecular FormulaC18H21NO4S
Molecular Weight347.44 g/mol
Exact Mass347.12
IUPAC Namemethyl 3-[(2-methyl-6-propan-2-ylphenyl)sulfamoyl]benzoate
SMILESCOC(=O)c1cccc(S(=O)(=O)Nc2c(C)cccc2C(C)C)c1
InChIInChI=1S/C18H21NO4S/c1-12(2)16-10-5-7-13(3)17(16)19-24(21,22)15-9-6-8-14(11-15)18(20)23-4/h5-12,19H,1-4H3
InChIKeyYDZJGCJSNCOBIF-UHFFFAOYSA-N
XLogP3.71
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 3-[(2-methyl-6-propan-2-ylphenyl)sulfamoyl]benzoate 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

N-(2-methoxyethyl)-3-[(2-methyl-6-propan-2-ylphenyl)sulfamoyl]benzamide
CID 109063672
methyl 3-[1-(2-methylphenyl)ethylsulfamoyl]benzoate
CID 51335463
4-methoxy-3-methyl-N-(2-methyl-6-propan-2-ylphenyl)benzenesulfonamide
CID 956359
methyl 3-[[4-chloro-5-methyl-6-(2-methyl-6-propan-2-ylphenyl)pyrimidin-2-yl]sulfamoyl]benzoate
CID 163242970
methyl 3-[[(2-methylphenyl)-phenylmethyl]sulfamoyl]benzoate
CID 133228972
methyl 3-[[(1S)-1-(2-methylphenyl)propyl]sulfamoyl]benzoate
CID 100538266
4-methyl-N-(2-methyl-6-propan-2-ylphenyl)benzenesulfonamide
CID 2804542
sodium methyl 3-[(3-methoxycarbonylphenyl)sulfonylsulfamoyl]benzoate
CID 21124986
methyl 3-[[(1S)-1-(2-methoxyphenyl)ethyl]sulfamoyl]benzoate
CID 31760778
N-tert-butyl-4-[(2-methyl-6-propan-2-ylphenyl)sulfamoyl]benzamide
CID 109061140
2-[[3,5-bis(methoxycarbonyl)phenyl]sulfonylamino]-3-methylbenzoic acid
CID 43069576
methyl 3-[(4-aminophenyl)sulfamoyl]benzoate
CID 21060733

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-methyl-6-propan-2-ylphenyl)sulfamoyl]benzoate?
The IUPAC name of methyl 3-[(2-methyl-6-propan-2-ylphenyl)sulfamoyl]benzoate (CID 99582827) is methyl 3-[(2-methyl-6-propan-2-ylphenyl)sulfamoyl]benzoate.
What is the SMILES notation for methyl 3-[(2-methyl-6-propan-2-ylphenyl)sulfamoyl]benzoate?
The canonical SMILES for methyl 3-[(2-methyl-6-propan-2-ylphenyl)sulfamoyl]benzoate is COC(=O)c1cccc(S(=O)(=O)Nc2c(C)cccc2C(C)C)c1.
What is the InChIKey of methyl 3-[(2-methyl-6-propan-2-ylphenyl)sulfamoyl]benzoate?
The InChIKey is YDZJGCJSNCOBIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4S/c1-12(2)16-10-5-7-13(3)17(16)19-24(21,22)15-9-6-8-14(11-15)18(20)23-4/h5-12,19H,1-4H3.
What are the key properties of methyl 3-[(2-methyl-6-propan-2-ylphenyl)sulfamoyl]benzoate?
methyl 3-[(2-methyl-6-propan-2-ylphenyl)sulfamoyl]benzoate has a molecular weight of 347.44 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-methyl-6-propan-2-ylphenyl)sulfamoyl]benzoate is sourced from PubChem (CID 99582827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).