3-(carboxymethylsulfamoyl)-4-methoxybenzoic acid

C10H11NO7S — CID 2462933

IUPAC3-(carboxymethylsulfamoyl)-4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)O)cc1S(=O)(=O)NCC(=O)O
InChIInChI=1S/C10H11NO7S/c1-18-7-3-2-6(10(14)15)4-8(7)19(16,17)11-5-9(12)13/h2-4,11H,5H2,1H3,(H,12,13)(H,14,15)
InChIKeyMOMBQPKCHILAKO-UHFFFAOYSA-N
MW289.27 g/mol
LogP-0.24
Rot. Bonds6

About 3-(carboxymethylsulfamoyl)-4-methoxybenzoic acid

3-(carboxymethylsulfamoyl)-4-methoxybenzoic acid (PubChem CID 2462933) has the molecular formula C10H11NO7S and a molecular weight of 289.27 g/mol. Its IUPAC name is 3-(carboxymethylsulfamoyl)-4-methoxybenzoic acid.

Molecular Properties

Compound Name3-(carboxymethylsulfamoyl)-4-methoxybenzoic acid
PubChem CID2462933
Molecular FormulaC10H11NO7S
Molecular Weight289.27 g/mol
Exact Mass289.03
IUPAC Name3-(carboxymethylsulfamoyl)-4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)O)cc1S(=O)(=O)NCC(=O)O
InChIInChI=1S/C10H11NO7S/c1-18-7-3-2-6(10(14)15)4-8(7)19(16,17)11-5-9(12)13/h2-4,11H,5H2,1H3,(H,12,13)(H,14,15)
InChIKeyMOMBQPKCHILAKO-UHFFFAOYSA-N
XLogP-0.24
TPSA130.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.27
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-Methoxy-3-[(propan-2-yl)sulfamoyl]benzoic acid
CID 2119871
4-Methoxy-3-sulfamoylbenzoic acid
CID 2492699
3-(Dimethylsulfamoyl)-4-methoxybenzoic acid
CID 2492687
4-Methoxy-3-(methylsulfamoyl)benzoic acid
CID 2492720
3-(Tert-butylsulfamoyl)-4-methoxybenzoic acid
CID 4464061
4-Methoxy-3-(4-thiomorpholinylsulfonyl)benzoic acid
CID 6462652
3-(Azepane-1-sulfonyl)-4-methoxybenzoic acid
CID 757123
4-Methoxy-3-(morpholine-4-sulfonyl)benzoic acid
CID 767913
5-Acetyl-2-methoxybenzene-1-sulfonamide
CID 15579451
4-Methoxy-3-{[3-(2-oxopyrrolidin-1-yl)propyl]sulfamoyl}benzoic acid
CID 2378290
3-(Diethylsulfamoyl)-4-methoxybenzoic acid
CID 794499
4-Methoxy-3-[(2-methoxyethyl)sulfamoyl]benzoic acid
CID 2119869

Frequently Asked Questions

What is the IUPAC name of 3-(carboxymethylsulfamoyl)-4-methoxybenzoic acid?
The IUPAC name of 3-(carboxymethylsulfamoyl)-4-methoxybenzoic acid (CID 2462933) is 3-(carboxymethylsulfamoyl)-4-methoxybenzoic acid.
What is the SMILES notation for 3-(carboxymethylsulfamoyl)-4-methoxybenzoic acid?
The canonical SMILES for 3-(carboxymethylsulfamoyl)-4-methoxybenzoic acid is COc1ccc(C(=O)O)cc1S(=O)(=O)NCC(=O)O.
What is the InChIKey of 3-(carboxymethylsulfamoyl)-4-methoxybenzoic acid?
The InChIKey is MOMBQPKCHILAKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO7S/c1-18-7-3-2-6(10(14)15)4-8(7)19(16,17)11-5-9(12)13/h2-4,11H,5H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 3-(carboxymethylsulfamoyl)-4-methoxybenzoic acid?
3-(carboxymethylsulfamoyl)-4-methoxybenzoic acid has a molecular weight of 289.27 g/mol, XLogP of -0.24, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(carboxymethylsulfamoyl)-4-methoxybenzoic acid is sourced from PubChem (CID 2462933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).