2-hydroxy-4-(2-sulfamoylethylcarbamoylamino)benzoic acid

C10H13N3O6S — CID 61202066

IUPAC2-hydroxy-4-(2-sulfamoylethylcarbamoylamino)benzoic acid
SMILESNS(=O)(=O)CCNC(=O)Nc1ccc(C(=O)O)c(O)c1
InChIInChI=1S/C10H13N3O6S/c11-20(18,19)4-3-12-10(17)13-6-1-2-7(9(15)16)8(14)5-6/h1-2,5,14H,3-4H2,(H,15,16)(H2,11,18,19)(H2,12,13,17)
InChIKeyKPNYSMQQWKSQAJ-UHFFFAOYSA-N
MW303.30 g/mol
LogP-0.50
Rot. Bonds5

About 2-hydroxy-4-(2-sulfamoylethylcarbamoylamino)benzoic acid

2-hydroxy-4-(2-sulfamoylethylcarbamoylamino)benzoic acid (PubChem CID 61202066) has the molecular formula C10H13N3O6S and a molecular weight of 303.30 g/mol. Its IUPAC name is 2-hydroxy-4-(2-sulfamoylethylcarbamoylamino)benzoic acid.

Molecular Properties

Compound Name2-hydroxy-4-(2-sulfamoylethylcarbamoylamino)benzoic acid
PubChem CID61202066
Molecular FormulaC10H13N3O6S
Molecular Weight303.30 g/mol
Exact Mass303.05
IUPAC Name2-hydroxy-4-(2-sulfamoylethylcarbamoylamino)benzoic acid
SMILESNS(=O)(=O)CCNC(=O)Nc1ccc(C(=O)O)c(O)c1
InChIInChI=1S/C10H13N3O6S/c11-20(18,19)4-3-12-10(17)13-6-1-2-7(9(15)16)8(14)5-6/h1-2,5,14H,3-4H2,(H,15,16)(H2,11,18,19)(H2,12,13,17)
InChIKeyKPNYSMQQWKSQAJ-UHFFFAOYSA-N
XLogP-0.50
TPSA158.82 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.30
LogP ≤ 5-0.50
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-acetamidoethylcarbamoylamino)-2-hydroxybenzoic acid
CID 61203198
4-(carboxymethylcarbamoylamino)-2-hydroxybenzoic acid
CID 86051660
2-hydroxy-5-(2-methylsulfonylethylcarbamoylamino)benzoic acid
CID 61206291
2-hydroxy-4-[(3-methoxy-3-oxopropyl)carbamoylamino]benzoic acid
CID 61301287
4-[2-[ethyl(methyl)amino]ethylcarbamoylamino]-2-hydroxybenzoic acid
CID 62635322
4-(cyclopropylmethylcarbamoylamino)-2-hydroxybenzoic acid
CID 61181096
2-hydroxy-4-[2-(2-methylprop-2-enoxy)ethylcarbamoylamino]benzoic acid
CID 114469316
1-(2-sulfamoylethyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 60799942
2,4-difluoro-5-(2-sulfamoylethylcarbamoylamino)benzoic acid
CID 61202634
1-[4-(1-hydroxyethyl)phenyl]-3-(2-sulfamoylethyl)urea
CID 61342170
4-(2-aminoethylcarbamoylamino)-2-fluorobenzoic acid
CID 107796038
1-(4-methylphenyl)-3-(3-sulfamoylpropyl)urea
CID 61131417

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-(2-sulfamoylethylcarbamoylamino)benzoic acid?
The IUPAC name of 2-hydroxy-4-(2-sulfamoylethylcarbamoylamino)benzoic acid (CID 61202066) is 2-hydroxy-4-(2-sulfamoylethylcarbamoylamino)benzoic acid.
What is the SMILES notation for 2-hydroxy-4-(2-sulfamoylethylcarbamoylamino)benzoic acid?
The canonical SMILES for 2-hydroxy-4-(2-sulfamoylethylcarbamoylamino)benzoic acid is NS(=O)(=O)CCNC(=O)Nc1ccc(C(=O)O)c(O)c1.
What is the InChIKey of 2-hydroxy-4-(2-sulfamoylethylcarbamoylamino)benzoic acid?
The InChIKey is KPNYSMQQWKSQAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O6S/c11-20(18,19)4-3-12-10(17)13-6-1-2-7(9(15)16)8(14)5-6/h1-2,5,14H,3-4H2,(H,15,16)(H2,11,18,19)(H2,12,13,17).
What are the key properties of 2-hydroxy-4-(2-sulfamoylethylcarbamoylamino)benzoic acid?
2-hydroxy-4-(2-sulfamoylethylcarbamoylamino)benzoic acid has a molecular weight of 303.30 g/mol, XLogP of -0.50, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-(2-sulfamoylethylcarbamoylamino)benzoic acid is sourced from PubChem (CID 61202066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).