3-(2-hydroxyethylsulfamoyl)-4-methylbenzoate

C10H12NO5S- — CID 7024656

IUPAC3-(2-hydroxyethylsulfamoyl)-4-methylbenzoate
SMILESCc1ccc(C(=O)[O-])cc1S(=O)(=O)NCCO
InChIInChI=1S/C10H13NO5S/c1-7-2-3-8(10(13)14)6-9(7)17(15,16)11-4-5-12/h2-3,6,11-12H,4-5H2,1H3,(H,13,14)/p-1
InChIKeyWGORYHSYKOIFNI-UHFFFAOYSA-M
MW258.27 g/mol
LogP-1.37
Rot. Bonds5

About 3-(2-hydroxyethylsulfamoyl)-4-methylbenzoate

3-(2-hydroxyethylsulfamoyl)-4-methylbenzoate (PubChem CID 7024656) has the molecular formula C10H12NO5S- and a molecular weight of 258.27 g/mol. Its IUPAC name is 3-(2-hydroxyethylsulfamoyl)-4-methylbenzoate.

Molecular Properties

Compound Name3-(2-hydroxyethylsulfamoyl)-4-methylbenzoate
PubChem CID7024656
Molecular FormulaC10H12NO5S-
Molecular Weight258.27 g/mol
Exact Mass258.04
IUPAC Name3-(2-hydroxyethylsulfamoyl)-4-methylbenzoate
SMILESCc1ccc(C(=O)[O-])cc1S(=O)(=O)NCCO
InChIInChI=1S/C10H13NO5S/c1-7-2-3-8(10(13)14)6-9(7)17(15,16)11-4-5-12/h2-3,6,11-12H,4-5H2,1H3,(H,13,14)/p-1
InChIKeyWGORYHSYKOIFNI-UHFFFAOYSA-M
XLogP-1.37
TPSA106.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 5-1.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(5-hydroxypentylsulfamoyl)-4-methylbenzoic acid
CID 107316564
3-[(3,5-dimethylphenyl)sulfamoyl]-4-methylbenzoate
CID 6957575
5-acetyl-2-methyl-N-propylbenzenesulfonamide
CID 39357440
4-fluoro-3-(2-methoxyethylsulfamoyl)benzoate
CID 9160422
4-bromo-3-(2-hydroxyethylsulfamoyl)-5-methylbenzoic acid
CID 114361339
4-methyl-3-[[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid
CID 43214879
3-[(3,5-dimethoxyphenyl)sulfamoyl]-4-methylbenzoate
CID 8822569
4-methoxy-3-(2-methoxyethylsulfamoyl)benzoate
CID 2119868
3-[(3-bromophenyl)sulfamoyl]-4-methylbenzoate
CID 8822291
4-methyl-3-(octylsulfamoyl)benzoic acid
CID 100820248
3-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]-4-methylbenzoic acid
CID 43214883
3-[[2-[(2S)-butan-2-yl]phenyl]sulfamoyl]-4-methylbenzoate
CID 8822853

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethylsulfamoyl)-4-methylbenzoate?
The IUPAC name of 3-(2-hydroxyethylsulfamoyl)-4-methylbenzoate (CID 7024656) is 3-(2-hydroxyethylsulfamoyl)-4-methylbenzoate.
What is the SMILES notation for 3-(2-hydroxyethylsulfamoyl)-4-methylbenzoate?
The canonical SMILES for 3-(2-hydroxyethylsulfamoyl)-4-methylbenzoate is Cc1ccc(C(=O)[O-])cc1S(=O)(=O)NCCO.
What is the InChIKey of 3-(2-hydroxyethylsulfamoyl)-4-methylbenzoate?
The InChIKey is WGORYHSYKOIFNI-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H13NO5S/c1-7-2-3-8(10(13)14)6-9(7)17(15,16)11-4-5-12/h2-3,6,11-12H,4-5H2,1H3,(H,13,14)/p-1.
What are the key properties of 3-(2-hydroxyethylsulfamoyl)-4-methylbenzoate?
3-(2-hydroxyethylsulfamoyl)-4-methylbenzoate has a molecular weight of 258.27 g/mol, XLogP of -1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethylsulfamoyl)-4-methylbenzoate is sourced from PubChem (CID 7024656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).