trans-(1S,2S)-2-[(3-sulfamoylphenyl)carbamoyl]cyclopropane-1-carboxylic acid

C11H12N2O5S — CID 93365685

IUPACtrans-(1S,2S)-2-[(3-sulfamoylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESNS(=O)(=O)c1cccc(NC(=O)[C@H]2C[C@@H]2C(=O)O)c1
InChIInChI=1S/C11H12N2O5S/c12-19(17,18)7-3-1-2-6(4-7)13-10(14)8-5-9(8)11(15)16/h1-4,8-9H,5H2,(H,13,14)(H,15,16)(H2,12,17,18)/t8-,9-/m0/s1
InChIKeyGYWJHVZCWRLPBE-IUCAKERBSA-N
MW284.29 g/mol
LogP-0.01
Rot. Bonds4

About trans-(1S,2S)-2-[(3-sulfamoylphenyl)carbamoyl]cyclopropane-1-carboxylic acid

trans-(1S,2S)-2-[(3-sulfamoylphenyl)carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 93365685) has the molecular formula C11H12N2O5S and a molecular weight of 284.29 g/mol. Its IUPAC name is trans-(1S,2S)-2-[(3-sulfamoylphenyl)carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1S,2S)-2-[(3-sulfamoylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID93365685
Molecular FormulaC11H12N2O5S
Molecular Weight284.29 g/mol
Exact Mass284.05
IUPAC Nametrans-(1S,2S)-2-[(3-sulfamoylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESNS(=O)(=O)c1cccc(NC(=O)[C@H]2C[C@@H]2C(=O)O)c1
InChIInChI=1S/C11H12N2O5S/c12-19(17,18)7-3-1-2-6(4-7)13-10(14)8-5-9(8)11(15)16/h1-4,8-9H,5H2,(H,13,14)(H,15,16)(H2,12,17,18)/t8-,9-/m0/s1
InChIKeyGYWJHVZCWRLPBE-IUCAKERBSA-N
XLogP-0.01
TPSA126.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze trans-(1S,2S)-2-[(3-sulfamoylphenyl)carbamoyl]cyclopropane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-N-(3-sulfamoylphenyl)cyclopropane-1-carboxamide
CID 47101138
2-[(3-methylsulfonylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 60791259
N-(3-sulfamoylphenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 60635841
cis-(1S,2R)-2-[(3-hydroxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 11877929
2-[[3-(methanesulfonamido)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 60940520
4-amino-N-(3-sulfamoylphenyl)oxolane-3-carboxamide
CID 66239997
2-[(3-chlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 53270444
N-(3-sulfamoylphenyl)cycloheptanecarboxamide
CID 62590757
5-methyl-N-(3-sulfamoylphenyl)piperazine-2-carboxamide
CID 63101675
2-[[3-(trifluoromethyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 53270434
cis-(1S,2R)-2-[[3-(methoxymethyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 93366056
trans-(1R,2R)-2-[(2-methoxy-5-sulfamoylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 129365678

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-[(3-sulfamoylphenyl)carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of trans-(1S,2S)-2-[(3-sulfamoylphenyl)carbamoyl]cyclopropane-1-carboxylic acid (CID 93365685) is trans-(1S,2S)-2-[(3-sulfamoylphenyl)carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for trans-(1S,2S)-2-[(3-sulfamoylphenyl)carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for trans-(1S,2S)-2-[(3-sulfamoylphenyl)carbamoyl]cyclopropane-1-carboxylic acid is NS(=O)(=O)c1cccc(NC(=O)[C@H]2C[C@@H]2C(=O)O)c1.
What is the InChIKey of trans-(1S,2S)-2-[(3-sulfamoylphenyl)carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is GYWJHVZCWRLPBE-IUCAKERBSA-N. The full InChI is InChI=1S/C11H12N2O5S/c12-19(17,18)7-3-1-2-6(4-7)13-10(14)8-5-9(8)11(15)16/h1-4,8-9H,5H2,(H,13,14)(H,15,16)(H2,12,17,18)/t8-,9-/m0/s1.
What are the key properties of trans-(1S,2S)-2-[(3-sulfamoylphenyl)carbamoyl]cyclopropane-1-carboxylic acid?
trans-(1S,2S)-2-[(3-sulfamoylphenyl)carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 284.29 g/mol, XLogP of -0.01, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-[(3-sulfamoylphenyl)carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 93365685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).