6-(cyclopropylsulfamoyl)-3,4-dihydro-2H-chromene-3-carboxylic acid

C13H15NO5S — CID 16788179

IUPAC6-(cyclopropylsulfamoyl)-3,4-dihydro-2H-chromene-3-carboxylic acid
SMILESO=C(O)C1COc2ccc(S(=O)(=O)NC3CC3)cc2C1
InChIInChI=1S/C13H15NO5S/c15-13(16)9-5-8-6-11(3-4-12(8)19-7-9)20(17,18)14-10-1-2-10/h3-4,6,9-10,14H,1-2,5,7H2,(H,15,16)
InChIKeyZBJNGAAVUWCFKH-UHFFFAOYSA-N
MW297.33 g/mol
LogP0.76
Rot. Bonds4

About 6-(cyclopropylsulfamoyl)-3,4-dihydro-2H-chromene-3-carboxylic acid

6-(cyclopropylsulfamoyl)-3,4-dihydro-2H-chromene-3-carboxylic acid (PubChem CID 16788179) has the molecular formula C13H15NO5S and a molecular weight of 297.33 g/mol. Its IUPAC name is 6-(cyclopropylsulfamoyl)-3,4-dihydro-2H-chromene-3-carboxylic acid.

Molecular Properties

Compound Name6-(cyclopropylsulfamoyl)-3,4-dihydro-2H-chromene-3-carboxylic acid
PubChem CID16788179
Molecular FormulaC13H15NO5S
Molecular Weight297.33 g/mol
Exact Mass297.07
IUPAC Name6-(cyclopropylsulfamoyl)-3,4-dihydro-2H-chromene-3-carboxylic acid
SMILESO=C(O)C1COc2ccc(S(=O)(=O)NC3CC3)cc2C1
InChIInChI=1S/C13H15NO5S/c15-13(16)9-5-8-6-11(3-4-12(8)19-7-9)20(17,18)14-10-1-2-10/h3-4,6,9-10,14H,1-2,5,7H2,(H,15,16)
InChIKeyZBJNGAAVUWCFKH-UHFFFAOYSA-N
XLogP0.76
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-6-chlorosulfonyl-3,4-dihydro-2H-chromene-3-carboxylic acid
CID 98119594
N-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)cyclohexyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 55361585
N-(4-hydroxycyclohexyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 43389822
(3S)-6-methoxy-3,4-dihydro-2H-chromene-3-carboxylic acid
CID 7061285
N-cyclobutyl-6-sulfamoyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 63850228
6-propan-2-yloxy-3,4-dihydro-2H-chromene-3-carboxylic acid
CID 58164198
6,7-dimethyl-3,4-dihydro-2H-chromene-3-carboxylic acid
CID 82610365
N-(4-aminocyclohexyl)-2-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 75430990
3,4-dihydro-2H-chromene-3-carboxylic acid
CID 162072408
4-[(4-methoxyphenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 60808728
N-(2,2-difluoroethyl)-6-sulfamoyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 79139619
4-[(3-bromophenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 60809051

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropylsulfamoyl)-3,4-dihydro-2H-chromene-3-carboxylic acid?
The IUPAC name of 6-(cyclopropylsulfamoyl)-3,4-dihydro-2H-chromene-3-carboxylic acid (CID 16788179) is 6-(cyclopropylsulfamoyl)-3,4-dihydro-2H-chromene-3-carboxylic acid.
What is the SMILES notation for 6-(cyclopropylsulfamoyl)-3,4-dihydro-2H-chromene-3-carboxylic acid?
The canonical SMILES for 6-(cyclopropylsulfamoyl)-3,4-dihydro-2H-chromene-3-carboxylic acid is O=C(O)C1COc2ccc(S(=O)(=O)NC3CC3)cc2C1.
What is the InChIKey of 6-(cyclopropylsulfamoyl)-3,4-dihydro-2H-chromene-3-carboxylic acid?
The InChIKey is ZBJNGAAVUWCFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO5S/c15-13(16)9-5-8-6-11(3-4-12(8)19-7-9)20(17,18)14-10-1-2-10/h3-4,6,9-10,14H,1-2,5,7H2,(H,15,16).
What are the key properties of 6-(cyclopropylsulfamoyl)-3,4-dihydro-2H-chromene-3-carboxylic acid?
6-(cyclopropylsulfamoyl)-3,4-dihydro-2H-chromene-3-carboxylic acid has a molecular weight of 297.33 g/mol, XLogP of 0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropylsulfamoyl)-3,4-dihydro-2H-chromene-3-carboxylic acid is sourced from PubChem (CID 16788179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).