2-[ethyl(methyl)sulfamoyl]benzoic acid

C10H13NO4S — CID 43263319

IUPAC2-[ethyl(methyl)sulfamoyl]benzoic acid
SMILESCCN(C)S(=O)(=O)c1ccccc1C(=O)O
InChIInChI=1S/C10H13NO4S/c1-3-11(2)16(14,15)9-7-5-4-6-8(9)10(12)13/h4-7H,3H2,1-2H3,(H,12,13)
InChIKeySWWGCRIUWROKGX-UHFFFAOYSA-N
MW243.28 g/mol
LogP1.03
Rot. Bonds4

About 2-[ethyl(methyl)sulfamoyl]benzoic acid

2-[ethyl(methyl)sulfamoyl]benzoic acid (PubChem CID 43263319) has the molecular formula C10H13NO4S and a molecular weight of 243.28 g/mol. Its IUPAC name is 2-[ethyl(methyl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name2-[ethyl(methyl)sulfamoyl]benzoic acid
PubChem CID43263319
Molecular FormulaC10H13NO4S
Molecular Weight243.28 g/mol
Exact Mass243.06
IUPAC Name2-[ethyl(methyl)sulfamoyl]benzoic acid
SMILESCCN(C)S(=O)(=O)c1ccccc1C(=O)O
InChIInChI=1S/C10H13NO4S/c1-3-11(2)16(14,15)9-7-5-4-6-8(9)10(12)13/h4-7H,3H2,1-2H3,(H,12,13)
InChIKeySWWGCRIUWROKGX-UHFFFAOYSA-N
XLogP1.03
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-hydroxy-2-methylpropyl)-methylsulfamoyl]benzoic acid
CID 79390718
2-[(2-amino-2-oxoethyl)-methylsulfamoyl]benzoic acid
CID 43374078
2-[ethyl(phenyl)sulfamoyl]benzoic acid
CID 18615557
2-[3-methoxypropyl(methyl)sulfamoyl]benzoic acid
CID 55140299
2-[1,1-difluoropropyl(methyl)sulfamoyl]benzoic acid
CID 142704998
2-[methyl(2-propan-2-yloxyethyl)sulfamoyl]benzoic acid
CID 81059803
2-[methoxy(methyl)sulfamoyl]benzoic acid
CID 13140209
2-[(4-bromothiophen-2-yl)methyl-methylsulfamoyl]benzoic acid
CID 60951029
2-[methyl(pyridin-3-ylmethyl)sulfamoyl]benzoic acid
CID 43471408
2-[cyclopropylmethyl(ethyl)sulfamoyl]benzoic acid
CID 63955952
2-[butyl(2-hydroxyethyl)sulfamoyl]benzoic acid
CID 60951844
2-(ethylsulfamoyl)benzoic acid
CID 18725198

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(methyl)sulfamoyl]benzoic acid?
The IUPAC name of 2-[ethyl(methyl)sulfamoyl]benzoic acid (CID 43263319) is 2-[ethyl(methyl)sulfamoyl]benzoic acid.
What is the SMILES notation for 2-[ethyl(methyl)sulfamoyl]benzoic acid?
The canonical SMILES for 2-[ethyl(methyl)sulfamoyl]benzoic acid is CCN(C)S(=O)(=O)c1ccccc1C(=O)O.
What is the InChIKey of 2-[ethyl(methyl)sulfamoyl]benzoic acid?
The InChIKey is SWWGCRIUWROKGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4S/c1-3-11(2)16(14,15)9-7-5-4-6-8(9)10(12)13/h4-7H,3H2,1-2H3,(H,12,13).
What are the key properties of 2-[ethyl(methyl)sulfamoyl]benzoic acid?
2-[ethyl(methyl)sulfamoyl]benzoic acid has a molecular weight of 243.28 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(methyl)sulfamoyl]benzoic acid is sourced from PubChem (CID 43263319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).