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

C9H11NO3S — CID 114999292

IUPAC3,4-dihydro-2H-chromene-4-sulfonamide
SMILESNS(=O)(=O)C1CCOc2ccccc21
InChIInChI=1S/C9H11NO3S/c10-14(11,12)9-5-6-13-8-4-2-1-3-7(8)9/h1-4,9H,5-6H2,(H2,10,11,12)
InChIKeyMLKWTOGDGVUCKB-UHFFFAOYSA-N
MW213.26 g/mol
LogP0.80
Rot. Bonds1

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

3,4-dihydro-2H-chromene-4-sulfonamide (PubChem CID 114999292) has the molecular formula C9H11NO3S and a molecular weight of 213.26 g/mol. Its IUPAC name is 3,4-dihydro-2H-chromene-4-sulfonamide.

Molecular Properties

Compound Name3,4-dihydro-2H-chromene-4-sulfonamide
PubChem CID114999292
Molecular FormulaC9H11NO3S
Molecular Weight213.26 g/mol
Exact Mass213.05
IUPAC Name3,4-dihydro-2H-chromene-4-sulfonamide
SMILESNS(=O)(=O)C1CCOc2ccccc21
InChIInChI=1S/C9H11NO3S/c10-14(11,12)9-5-6-13-8-4-2-1-3-7(8)9/h1-4,9H,5-6H2,(H2,10,11,12)
InChIKeyMLKWTOGDGVUCKB-UHFFFAOYSA-N
XLogP0.80
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 ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(Benzyloxy)benzene-1-sulfonamide
CID 19374444
Sulfamic acid chroman-2-ylmethyl ester
CID 11356944
Chroman
CID 136319
7-(4-Benzyloxy-phenyl)-heptanesulfonyl fluoride
CID 25017344
7-(2-Benzyloxy-phenyl)-heptanesulfonyl fluoride
CID 25017346
7-(4-Benzyloxy-phenyl)-heptane-1-sulfonic acid methyl ester
CID 25017611
5-(4-Benzyloxy-phenyl)-pentanesulfonyl fluoride
CID 44128291
4-(2-Phenylethoxy)benzenesulfonamide
CID 43342475
6-Phenylmethoxy-1,2lambda6-benzoxathiine 2,2-dioxide
CID 71716939
7-Phenylmethoxy-3,4-dihydro-1,2lambda6-benzoxathiine 2,2-dioxide
CID 73349056
6-Prop-2-ynoxy-1,2lambda6-benzoxathiine 2,2-dioxide
CID 155520507
4-Prop-2-enoxychromene-2-thione
CID 57386888

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-chromene-4-sulfonamide?
The IUPAC name of 3,4-dihydro-2H-chromene-4-sulfonamide (CID 114999292) is 3,4-dihydro-2H-chromene-4-sulfonamide.
What is the SMILES notation for 3,4-dihydro-2H-chromene-4-sulfonamide?
The canonical SMILES for 3,4-dihydro-2H-chromene-4-sulfonamide is NS(=O)(=O)C1CCOc2ccccc21.
What is the InChIKey of 3,4-dihydro-2H-chromene-4-sulfonamide?
The InChIKey is MLKWTOGDGVUCKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3S/c10-14(11,12)9-5-6-13-8-4-2-1-3-7(8)9/h1-4,9H,5-6H2,(H2,10,11,12).
What are the key properties of 3,4-dihydro-2H-chromene-4-sulfonamide?
3,4-dihydro-2H-chromene-4-sulfonamide has a molecular weight of 213.26 g/mol, XLogP of 0.80, 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-4-sulfonamide is sourced from PubChem (CID 114999292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).