5-chloro-2-methoxy-4-[methoxy(methyl)sulfamoyl]benzoic acid

C10H12ClNO6S — CID 146108647

IUPAC5-chloro-2-methoxy-4-[methoxy(methyl)sulfamoyl]benzoic acid
SMILESCOc1cc(S(=O)(=O)N(C)OC)c(Cl)cc1C(=O)O
InChIInChI=1S/C10H12ClNO6S/c1-12(18-3)19(15,16)9-5-8(17-2)6(10(13)14)4-7(9)11/h4-5H,1-3H3,(H,13,14)
InChIKeyFDASFLFBCDKCAZ-UHFFFAOYSA-N
MW309.73 g/mol
LogP1.23
Rot. Bonds5

About 5-chloro-2-methoxy-4-[methoxy(methyl)sulfamoyl]benzoic acid

5-chloro-2-methoxy-4-[methoxy(methyl)sulfamoyl]benzoic acid (PubChem CID 146108647) has the molecular formula C10H12ClNO6S and a molecular weight of 309.73 g/mol. Its IUPAC name is 5-chloro-2-methoxy-4-[methoxy(methyl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name5-chloro-2-methoxy-4-[methoxy(methyl)sulfamoyl]benzoic acid
PubChem CID146108647
Molecular FormulaC10H12ClNO6S
Molecular Weight309.73 g/mol
Exact Mass309.01
IUPAC Name5-chloro-2-methoxy-4-[methoxy(methyl)sulfamoyl]benzoic acid
SMILESCOc1cc(S(=O)(=O)N(C)OC)c(Cl)cc1C(=O)O
InChIInChI=1S/C10H12ClNO6S/c1-12(18-3)19(15,16)9-5-8(17-2)6(10(13)14)4-7(9)11/h4-5H,1-3H3,(H,13,14)
InChIKeyFDASFLFBCDKCAZ-UHFFFAOYSA-N
XLogP1.23
TPSA93.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.73
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-chloro-5-chlorosulfonyl-2-methoxybenzoic acid
CID 10517227
5-chlorosulfonyl-2,4-dimethoxybenzoic acid
CID 16771362
5-bromo-3-[methoxy(methyl)sulfamoyl]-2-methylbenzoic acid
CID 139021803
2-[methoxy(methyl)sulfamoyl]benzoic acid
CID 13140209
5-chloro-4-chlorosulfonyl-2-methoxybenzoyl chloride
CID 116739971
5-chloro-2-methoxy-4-propan-2-yloxybenzoic acid
CID 54184190
5-chloro-4-(chlorosulfonylamino)-2-methoxybenzoic acid
CID 84760610
5-chloro-2-methoxy-4-[[methyl(propan-2-yl)sulfamoyl]amino]benzoic acid
CID 61455915
5-(azepan-1-ylsulfonyl)-4-chloro-2-methoxybenzoic acid
CID 20506094
5-chloro-4-(ethylsulfonylamino)-2-methoxybenzoic acid
CID 43405044
5-chloro-2-methoxy-4-[(2-methoxy-2-methylpropanoyl)amino]benzoic acid
CID 103018243
5-chloro-4-[(4-cyano-3-iodophenyl)sulfamoyl]-2-methoxybenzoic acid
CID 167830599

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-4-[methoxy(methyl)sulfamoyl]benzoic acid?
The IUPAC name of 5-chloro-2-methoxy-4-[methoxy(methyl)sulfamoyl]benzoic acid (CID 146108647) is 5-chloro-2-methoxy-4-[methoxy(methyl)sulfamoyl]benzoic acid.
What is the SMILES notation for 5-chloro-2-methoxy-4-[methoxy(methyl)sulfamoyl]benzoic acid?
The canonical SMILES for 5-chloro-2-methoxy-4-[methoxy(methyl)sulfamoyl]benzoic acid is COc1cc(S(=O)(=O)N(C)OC)c(Cl)cc1C(=O)O.
What is the InChIKey of 5-chloro-2-methoxy-4-[methoxy(methyl)sulfamoyl]benzoic acid?
The InChIKey is FDASFLFBCDKCAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO6S/c1-12(18-3)19(15,16)9-5-8(17-2)6(10(13)14)4-7(9)11/h4-5H,1-3H3,(H,13,14).
What are the key properties of 5-chloro-2-methoxy-4-[methoxy(methyl)sulfamoyl]benzoic acid?
5-chloro-2-methoxy-4-[methoxy(methyl)sulfamoyl]benzoic acid has a molecular weight of 309.73 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-4-[methoxy(methyl)sulfamoyl]benzoic acid is sourced from PubChem (CID 146108647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).