cyclobutyl 6-sulfamoyl-3,4-dihydro-2H-chromene-4-carboxylate

C14H17NO5S — CID 65382512

IUPACcyclobutyl 6-sulfamoyl-3,4-dihydro-2H-chromene-4-carboxylate
SMILESNS(=O)(=O)c1ccc2c(c1)C(C(=O)OC1CCC1)CCO2
InChIInChI=1S/C14H17NO5S/c15-21(17,18)10-4-5-13-12(8-10)11(6-7-19-13)14(16)20-9-2-1-3-9/h4-5,8-9,11H,1-3,6-7H2,(H2,15,17,18)
InChIKeyBOVYJGVEZXSFEC-UHFFFAOYSA-N
MW311.36 g/mol
LogP1.30
Rot. Bonds3

About cyclobutyl 6-sulfamoyl-3,4-dihydro-2H-chromene-4-carboxylate

cyclobutyl 6-sulfamoyl-3,4-dihydro-2H-chromene-4-carboxylate (PubChem CID 65382512) has the molecular formula C14H17NO5S and a molecular weight of 311.36 g/mol. Its IUPAC name is cyclobutyl 6-sulfamoyl-3,4-dihydro-2H-chromene-4-carboxylate.

Molecular Properties

Compound Namecyclobutyl 6-sulfamoyl-3,4-dihydro-2H-chromene-4-carboxylate
PubChem CID65382512
Molecular FormulaC14H17NO5S
Molecular Weight311.36 g/mol
Exact Mass311.08
IUPAC Namecyclobutyl 6-sulfamoyl-3,4-dihydro-2H-chromene-4-carboxylate
SMILESNS(=O)(=O)c1ccc2c(c1)C(C(=O)OC1CCC1)CCO2
InChIInChI=1S/C14H17NO5S/c15-21(17,18)10-4-5-13-12(8-10)11(6-7-19-13)14(16)20-9-2-1-3-9/h4-5,8-9,11H,1-3,6-7H2,(H2,15,17,18)
InChIKeyBOVYJGVEZXSFEC-UHFFFAOYSA-N
XLogP1.30
TPSA95.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

oxetan-3-yl 6-sulfamoyl-3,4-dihydro-2H-chromene-4-carboxylate
CID 102608652
ethyl 6-sulfamoyl-3,4-dihydro-2H-chromene-4-carboxylate
CID 65379594
4-amino-3,4-dihydro-2H-chromene-6-sulfonamide
CID 43186511
4-carbamoyl-3,4-dihydro-2H-chromene-6-sulfonyl chloride
CID 65367733
methyl 6-fluoro-3,4-dihydro-2H-chromene-4-carboxylate
CID 14986536
4-(cyclopropylcarbamoyl)-3,4-dihydro-2H-chromene-6-sulfonyl chloride
CID 65367992
N-ethyl-N-methyl-5-sulfamoyl-2,3-dihydro-1-benzofuran-3-carboxamide
CID 65375241
(4S)-6-methylsulfonyl-3,4-dihydro-2H-chromen-4-amine
CID 131548792
cyclopentyl 2-chloro-5-sulfamoylbenzoate
CID 65381040
N-butan-2-yl-N-methyl-5-sulfamoyl-2,3-dihydro-1-benzofuran-3-carboxamide
CID 65388913
4-(propylcarbamoyl)-3,4-dihydro-2H-chromene-6-sulfonyl chloride
CID 65368865
N-butyl-N-methyl-5-sulfamoyl-2,3-dihydro-1-benzofuran-3-carboxamide
CID 65373485

Frequently Asked Questions

What is the IUPAC name of cyclobutyl 6-sulfamoyl-3,4-dihydro-2H-chromene-4-carboxylate?
The IUPAC name of cyclobutyl 6-sulfamoyl-3,4-dihydro-2H-chromene-4-carboxylate (CID 65382512) is cyclobutyl 6-sulfamoyl-3,4-dihydro-2H-chromene-4-carboxylate.
What is the SMILES notation for cyclobutyl 6-sulfamoyl-3,4-dihydro-2H-chromene-4-carboxylate?
The canonical SMILES for cyclobutyl 6-sulfamoyl-3,4-dihydro-2H-chromene-4-carboxylate is NS(=O)(=O)c1ccc2c(c1)C(C(=O)OC1CCC1)CCO2.
What is the InChIKey of cyclobutyl 6-sulfamoyl-3,4-dihydro-2H-chromene-4-carboxylate?
The InChIKey is BOVYJGVEZXSFEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO5S/c15-21(17,18)10-4-5-13-12(8-10)11(6-7-19-13)14(16)20-9-2-1-3-9/h4-5,8-9,11H,1-3,6-7H2,(H2,15,17,18).
What are the key properties of cyclobutyl 6-sulfamoyl-3,4-dihydro-2H-chromene-4-carboxylate?
cyclobutyl 6-sulfamoyl-3,4-dihydro-2H-chromene-4-carboxylate has a molecular weight of 311.36 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl 6-sulfamoyl-3,4-dihydro-2H-chromene-4-carboxylate is sourced from PubChem (CID 65382512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).