4-(2-hydroxyethylsulfamoyl)benzoic acid

C9H11NO5S — CID 15944537

IUPAC4-(2-hydroxyethylsulfamoyl)benzoic acid
SMILESO=C(O)c1ccc(S(=O)(=O)NCCO)cc1
InChIInChI=1S/C9H11NO5S/c11-6-5-10-16(14,15)8-3-1-7(2-4-8)9(12)13/h1-4,10-11H,5-6H2,(H,12,13)
InChIKeyBEOGHUMRMQJDCR-UHFFFAOYSA-N
MW245.26 g/mol
LogP-0.34
Rot. Bonds5

About 4-(2-hydroxyethylsulfamoyl)benzoic acid

4-(2-hydroxyethylsulfamoyl)benzoic acid (PubChem CID 15944537) has the molecular formula C9H11NO5S and a molecular weight of 245.26 g/mol. Its IUPAC name is 4-(2-hydroxyethylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name4-(2-hydroxyethylsulfamoyl)benzoic acid
PubChem CID15944537
Molecular FormulaC9H11NO5S
Molecular Weight245.26 g/mol
Exact Mass245.04
IUPAC Name4-(2-hydroxyethylsulfamoyl)benzoic acid
SMILESO=C(O)c1ccc(S(=O)(=O)NCCO)cc1
InChIInChI=1S/C9H11NO5S/c11-6-5-10-16(14,15)8-3-1-7(2-4-8)9(12)13/h1-4,10-11H,5-6H2,(H,12,13)
InChIKeyBEOGHUMRMQJDCR-UHFFFAOYSA-N
XLogP-0.34
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.26
LogP ≤ 5-0.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 60915127
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4-(2-propan-2-yloxyethylsulfamoyl)benzoic acid
CID 113449953
4-(prop-2-enylsulfamoyl)benzoic acid
CID 2512621
4-(2-methylpropylsulfamoyl)benzoic acid
CID 611819
4-(5-hydroxypentylsulfamoyl)benzamide
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(E)-4-[4-(3-hydroxypropylsulfamoyl)phenyl]-4-oxobut-2-enoic acid
CID 94780188
4-[2-(2-methylpropoxy)ethylsulfamoyl]benzoic acid
CID 115588284
4-[2-(1H-pyrrol-3-yl)ethylsulfamoyl]benzoic acid
CID 110789467
methyl 4-(4-hydroxybutylsulfamoyl)benzoate
CID 106844012
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CID 70636860
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CID 2055080

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethylsulfamoyl)benzoic acid?
The IUPAC name of 4-(2-hydroxyethylsulfamoyl)benzoic acid (CID 15944537) is 4-(2-hydroxyethylsulfamoyl)benzoic acid.
What is the SMILES notation for 4-(2-hydroxyethylsulfamoyl)benzoic acid?
The canonical SMILES for 4-(2-hydroxyethylsulfamoyl)benzoic acid is O=C(O)c1ccc(S(=O)(=O)NCCO)cc1.
What is the InChIKey of 4-(2-hydroxyethylsulfamoyl)benzoic acid?
The InChIKey is BEOGHUMRMQJDCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO5S/c11-6-5-10-16(14,15)8-3-1-7(2-4-8)9(12)13/h1-4,10-11H,5-6H2,(H,12,13).
What are the key properties of 4-(2-hydroxyethylsulfamoyl)benzoic acid?
4-(2-hydroxyethylsulfamoyl)benzoic acid has a molecular weight of 245.26 g/mol, XLogP of -0.34, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethylsulfamoyl)benzoic acid is sourced from PubChem (CID 15944537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).