3,4-dihydro-2H-chromene-6-sulfonamide

C9H11NO3S — CID 63840602

IUPAC3,4-dihydro-2H-chromene-6-sulfonamide
SMILESNS(=O)(=O)c1ccc2c(c1)CCCO2
InChIInChI=1S/C9H11NO3S/c10-14(11,12)8-3-4-9-7(6-8)2-1-5-13-9/h3-4,6H,1-2,5H2,(H2,10,11,12)
InChIKeyAZLIFDXUTNJPRI-UHFFFAOYSA-N
MW213.26 g/mol
LogP0.66
Rot. Bonds1

About 3,4-dihydro-2H-chromene-6-sulfonamide

3,4-dihydro-2H-chromene-6-sulfonamide (PubChem CID 63840602) has the molecular formula C9H11NO3S and a molecular weight of 213.26 g/mol. Its IUPAC name is 3,4-dihydro-2H-chromene-6-sulfonamide.

Molecular Properties

Compound Name3,4-dihydro-2H-chromene-6-sulfonamide
PubChem CID63840602
Molecular FormulaC9H11NO3S
Molecular Weight213.26 g/mol
Exact Mass213.05
IUPAC Name3,4-dihydro-2H-chromene-6-sulfonamide
SMILESNS(=O)(=O)c1ccc2c(c1)CCCO2
InChIInChI=1S/C9H11NO3S/c10-14(11,12)8-3-4-9-7(6-8)2-1-5-13-9/h3-4,6H,1-2,5H2,(H2,10,11,12)
InChIKeyAZLIFDXUTNJPRI-UHFFFAOYSA-N
XLogP0.66
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(Benzyloxy)benzene-1-sulfonamide
CID 19374444
4-[(2,3,4,5,6-Pentafluorophenyl)methoxy]benzenesulfonamide
CID 118729473
8-Fluoro-2-methyl-2-(4-methylpentyl)-3,4-dihydrochromene-6-sulfonamide
CID 89943925
4-Methoxy-3-methylbenzenesulfonamide
CID 847787
4-ethoxy-N-(2-methoxyethyl)-3-methylbenzenesulfonamide
CID 2224391
4-methoxy-3-methyl-N-(2-phenoxyethyl)benzenesulfonamide
CID 2231172
4-[(4-Fluorophenyl)methoxy]benzenesulfonamide
CID 43342474
4-(2-Phenylethoxy)benzenesulfonamide
CID 43342475
4-(3-Phenylprop-2-ynoxy)benzenesulfonamide
CID 118729474
4-(2,2-Diphenylethoxy)benzenesulfonamide
CID 118729475
2,3-Dihydrobenzofuran-5-sulfonyl Chloride
CID 2776154
N-ethyl-4-methoxy-3-methylbenzenesulfonamide
CID 894026

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-chromene-6-sulfonamide?
The IUPAC name of 3,4-dihydro-2H-chromene-6-sulfonamide (CID 63840602) is 3,4-dihydro-2H-chromene-6-sulfonamide.
What is the SMILES notation for 3,4-dihydro-2H-chromene-6-sulfonamide?
The canonical SMILES for 3,4-dihydro-2H-chromene-6-sulfonamide is NS(=O)(=O)c1ccc2c(c1)CCCO2.
What is the InChIKey of 3,4-dihydro-2H-chromene-6-sulfonamide?
The InChIKey is AZLIFDXUTNJPRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3S/c10-14(11,12)8-3-4-9-7(6-8)2-1-5-13-9/h3-4,6H,1-2,5H2,(H2,10,11,12).
What are the key properties of 3,4-dihydro-2H-chromene-6-sulfonamide?
3,4-dihydro-2H-chromene-6-sulfonamide has a molecular weight of 213.26 g/mol, XLogP of 0.66, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-chromene-6-sulfonamide is sourced from PubChem (CID 63840602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).