2-[cyclopropyl-(3-sulfamoylphenyl)sulfonylamino]acetic acid

C11H14N2O6S2 — CID 60827715

IUPAC2-[cyclopropyl-(3-sulfamoylphenyl)sulfonylamino]acetic acid
SMILESNS(=O)(=O)c1cccc(S(=O)(=O)N(CC(=O)O)C2CC2)c1
InChIInChI=1S/C11H14N2O6S2/c12-20(16,17)9-2-1-3-10(6-9)21(18,19)13(7-11(14)15)8-4-5-8/h1-3,6,8H,4-5,7H2,(H,14,15)(H2,12,16,17)
InChIKeyYDDWISMZNLRYMX-UHFFFAOYSA-N
MW334.38 g/mol
LogP-0.43
Rot. Bonds6

About 2-[cyclopropyl-(3-sulfamoylphenyl)sulfonylamino]acetic acid

2-[cyclopropyl-(3-sulfamoylphenyl)sulfonylamino]acetic acid (PubChem CID 60827715) has the molecular formula C11H14N2O6S2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 2-[cyclopropyl-(3-sulfamoylphenyl)sulfonylamino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-(3-sulfamoylphenyl)sulfonylamino]acetic acid
PubChem CID60827715
Molecular FormulaC11H14N2O6S2
Molecular Weight334.38 g/mol
Exact Mass334.03
IUPAC Name2-[cyclopropyl-(3-sulfamoylphenyl)sulfonylamino]acetic acid
SMILESNS(=O)(=O)c1cccc(S(=O)(=O)N(CC(=O)O)C2CC2)c1
InChIInChI=1S/C11H14N2O6S2/c12-20(16,17)9-2-1-3-10(6-9)21(18,19)13(7-11(14)15)8-4-5-8/h1-3,6,8H,4-5,7H2,(H,14,15)(H2,12,16,17)
InChIKeyYDDWISMZNLRYMX-UHFFFAOYSA-N
XLogP-0.43
TPSA134.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[cyclopropyl-(3-fluorophenyl)sulfonylamino]acetic acid
CID 54946257
3-N-benzyl-3-N-cyclopropylbenzene-1,3-disulfonamide
CID 31820934
2-[cyclopropyl(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)amino]acetic acid
CID 60829160
2-[propyl-(3-sulfamoylphenyl)sulfonylamino]acetic acid
CID 61008189
2-[cyclopropyl-(3,4-dimethoxyphenyl)sulfonylamino]acetic acid
CID 60829007
2-[(2-bromo-6-chlorophenyl)sulfonyl-cyclopropylamino]acetic acid
CID 114269251
2-[cyclopropyl-(4-ethylphenyl)sulfonylamino]acetic acid
CID 54945155
3-N-ethyl-3-N-(oxetan-3-yl)benzene-1,3-disulfonamide
CID 166235680
2-[cyclopentyl-(3,4-difluorophenyl)sulfonylamino]acetic acid
CID 60828784
3-[(3-acetylphenyl)sulfonyl-cyclopropylamino]propanoic acid
CID 60718163
2-[cyclopropyl-(2-fluorophenyl)sulfonylamino]acetic acid
CID 54945752
3-[cyclopropyl(ethyl)sulfamoyl]benzenesulfonyl fluoride
CID 114791269

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-(3-sulfamoylphenyl)sulfonylamino]acetic acid?
The IUPAC name of 2-[cyclopropyl-(3-sulfamoylphenyl)sulfonylamino]acetic acid (CID 60827715) is 2-[cyclopropyl-(3-sulfamoylphenyl)sulfonylamino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-(3-sulfamoylphenyl)sulfonylamino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-(3-sulfamoylphenyl)sulfonylamino]acetic acid is NS(=O)(=O)c1cccc(S(=O)(=O)N(CC(=O)O)C2CC2)c1.
What is the InChIKey of 2-[cyclopropyl-(3-sulfamoylphenyl)sulfonylamino]acetic acid?
The InChIKey is YDDWISMZNLRYMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O6S2/c12-20(16,17)9-2-1-3-10(6-9)21(18,19)13(7-11(14)15)8-4-5-8/h1-3,6,8H,4-5,7H2,(H,14,15)(H2,12,16,17).
What are the key properties of 2-[cyclopropyl-(3-sulfamoylphenyl)sulfonylamino]acetic acid?
2-[cyclopropyl-(3-sulfamoylphenyl)sulfonylamino]acetic acid has a molecular weight of 334.38 g/mol, XLogP of -0.43, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-(3-sulfamoylphenyl)sulfonylamino]acetic acid is sourced from PubChem (CID 60827715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).