methyl 4-(methanesulfonamido)benzoate

C9H11NO4S — CID 669159

IUPACmethyl 4-(methanesulfonamido)benzoate
SMILESCOC(=O)c1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C9H11NO4S/c1-14-9(11)7-3-5-8(6-4-7)10-15(2,12)13/h3-6,10H,1-2H3
InChIKeyQFDZXBAQIPTWSB-UHFFFAOYSA-N
MW229.26 g/mol
LogP0.84
Rot. Bonds3

About methyl 4-(methanesulfonamido)benzoate

methyl 4-(methanesulfonamido)benzoate (PubChem CID 669159) has the molecular formula C9H11NO4S and a molecular weight of 229.26 g/mol. Its IUPAC name is methyl 4-(methanesulfonamido)benzoate.

Molecular Properties

Compound Namemethyl 4-(methanesulfonamido)benzoate
PubChem CID669159
Molecular FormulaC9H11NO4S
Molecular Weight229.26 g/mol
Exact Mass229.04
IUPAC Namemethyl 4-(methanesulfonamido)benzoate
SMILESCOC(=O)c1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C9H11NO4S/c1-14-9(11)7-3-5-8(6-4-7)10-15(2,12)13/h3-6,10H,1-2H3
InChIKeyQFDZXBAQIPTWSB-UHFFFAOYSA-N
XLogP0.84
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.26
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 4-(methanesulfonamido)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

Benzocaine
CID 2337
Butyl 4-aminobenzoate
CID 2482
Risocaine
CID 7174
Isobutamben
CID 7176
Tricaine Methanesulfonate
CID 261501
Trimethylene glycol di-p-aminobenzoate
CID 93312
Aminobenzoate Potassium
CID 23663628
Sodium 4-aminobenzoate
CID 517441
Methyl 4-aminobenzoate
CID 12082
4-Aminobenzoate
CID 4876
4-(Methylsulfonamido)benzoic acid
CID 250653
4-{[(Dimethylamino)sulfonyl]amino}benzoic acid
CID 653734

Frequently Asked Questions

What is the IUPAC name of methyl 4-(methanesulfonamido)benzoate?
The IUPAC name of methyl 4-(methanesulfonamido)benzoate (CID 669159) is methyl 4-(methanesulfonamido)benzoate.
What is the SMILES notation for methyl 4-(methanesulfonamido)benzoate?
The canonical SMILES for methyl 4-(methanesulfonamido)benzoate is COC(=O)c1ccc(NS(C)(=O)=O)cc1.
What is the InChIKey of methyl 4-(methanesulfonamido)benzoate?
The InChIKey is QFDZXBAQIPTWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO4S/c1-14-9(11)7-3-5-8(6-4-7)10-15(2,12)13/h3-6,10H,1-2H3.
What are the key properties of methyl 4-(methanesulfonamido)benzoate?
methyl 4-(methanesulfonamido)benzoate has a molecular weight of 229.26 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(methanesulfonamido)benzoate is sourced from PubChem (CID 669159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).