4-methoxy-3-(methylsulfamoyl)benzoic acid

C9H11NO5S — CID 2492720

IUPAC4-methoxy-3-(methylsulfamoyl)benzoic acid
SMILESCNS(=O)(=O)c1cc(C(=O)O)ccc1OC
InChIInChI=1S/C9H11NO5S/c1-10-16(13,14)8-5-6(9(11)12)3-4-7(8)15-2/h3-5,10H,1-2H3,(H,11,12)
InChIKeyXKBCISMVWOJEGS-UHFFFAOYSA-N
MW245.26 g/mol
LogP0.30
Rot. Bonds4

About 4-methoxy-3-(methylsulfamoyl)benzoic acid

4-methoxy-3-(methylsulfamoyl)benzoic acid (PubChem CID 2492720) has the molecular formula C9H11NO5S and a molecular weight of 245.26 g/mol. Its IUPAC name is 4-methoxy-3-(methylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name4-methoxy-3-(methylsulfamoyl)benzoic acid
PubChem CID2492720
Molecular FormulaC9H11NO5S
Molecular Weight245.26 g/mol
Exact Mass245.04
IUPAC Name4-methoxy-3-(methylsulfamoyl)benzoic acid
SMILESCNS(=O)(=O)c1cc(C(=O)O)ccc1OC
InChIInChI=1S/C9H11NO5S/c1-10-16(13,14)8-5-6(9(11)12)3-4-7(8)15-2/h3-5,10H,1-2H3,(H,11,12)
InChIKeyXKBCISMVWOJEGS-UHFFFAOYSA-N
XLogP0.30
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.26
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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
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
5-[(Isopropylamino)sulfonyl]-2,4-dimethoxybenzoic acid
CID 2203685

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(methylsulfamoyl)benzoic acid?
The IUPAC name of 4-methoxy-3-(methylsulfamoyl)benzoic acid (CID 2492720) is 4-methoxy-3-(methylsulfamoyl)benzoic acid.
What is the SMILES notation for 4-methoxy-3-(methylsulfamoyl)benzoic acid?
The canonical SMILES for 4-methoxy-3-(methylsulfamoyl)benzoic acid is CNS(=O)(=O)c1cc(C(=O)O)ccc1OC.
What is the InChIKey of 4-methoxy-3-(methylsulfamoyl)benzoic acid?
The InChIKey is XKBCISMVWOJEGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO5S/c1-10-16(13,14)8-5-6(9(11)12)3-4-7(8)15-2/h3-5,10H,1-2H3,(H,11,12).
What are the key properties of 4-methoxy-3-(methylsulfamoyl)benzoic acid?
4-methoxy-3-(methylsulfamoyl)benzoic acid has a molecular weight of 245.26 g/mol, XLogP of 0.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(methylsulfamoyl)benzoic acid is sourced from PubChem (CID 2492720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).