5-cyano-N-(3,4-dihydro-2H-chromen-4-yl)thiophene-2-sulfonamide

C14H12N2O3S2 — CID 106268057

IUPAC5-cyano-N-(3,4-dihydro-2H-chromen-4-yl)thiophene-2-sulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NC2CCOc3ccccc32)s1
InChIInChI=1S/C14H12N2O3S2/c15-9-10-5-6-14(20-10)21(17,18)16-12-7-8-19-13-4-2-1-3-11(12)13/h1-6,12,16H,7-8H2
InChIKeyPQQVUAXFCHPIHJ-UHFFFAOYSA-N
MW320.40 g/mol
LogP2.42
Rot. Bonds3

About 5-cyano-N-(3,4-dihydro-2H-chromen-4-yl)thiophene-2-sulfonamide

5-cyano-N-(3,4-dihydro-2H-chromen-4-yl)thiophene-2-sulfonamide (PubChem CID 106268057) has the molecular formula C14H12N2O3S2 and a molecular weight of 320.40 g/mol. Its IUPAC name is 5-cyano-N-(3,4-dihydro-2H-chromen-4-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-cyano-N-(3,4-dihydro-2H-chromen-4-yl)thiophene-2-sulfonamide
PubChem CID106268057
Molecular FormulaC14H12N2O3S2
Molecular Weight320.40 g/mol
Exact Mass320.03
IUPAC Name5-cyano-N-(3,4-dihydro-2H-chromen-4-yl)thiophene-2-sulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NC2CCOc3ccccc32)s1
InChIInChI=1S/C14H12N2O3S2/c15-9-10-5-6-14(20-10)21(17,18)16-12-7-8-19-13-4-2-1-3-11(12)13/h1-6,12,16H,7-8H2
InChIKeyPQQVUAXFCHPIHJ-UHFFFAOYSA-N
XLogP2.42
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-cyano-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]thiophene-2-sulfonamide
CID 106272528
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]methanesulfonamide
CID 94197081
5-cyano-N-(1,1-dioxothian-4-yl)thiophene-2-sulfonamide
CID 106267400
N-(3,4-dihydro-2H-chromen-4-yl)-3-fluoro-4-methylbenzenesulfonamide
CID 42960719
5-cyano-N-cyclohex-3-en-1-ylthiophene-2-sulfonamide
CID 106269472
5-ethyl-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)thiophene-2-sulfonamide
CID 110751341
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1-phenylmethanesulfonamide
CID 33038573
(4R)-4-[[methyl(propan-2-yl)sulfamoyl]amino]-3,4-dihydro-2H-chromene
CID 94026699
N-(3,4-dihydro-2H-chromen-4-yl)-3,4-dihydronaphthalene-2-sulfonamide
CID 18194280
N-(3,4-dihydro-2H-chromen-4-yl)-5-fluoro-2-methylbenzenesulfonamide
CID 42960718
N-(3,4-dihydro-2H-chromen-4-yl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 18096764
2-(3,4-dihydro-2H-chromen-4-ylamino)acetonitrile
CID 62367299

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-(3,4-dihydro-2H-chromen-4-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-cyano-N-(3,4-dihydro-2H-chromen-4-yl)thiophene-2-sulfonamide (CID 106268057) is 5-cyano-N-(3,4-dihydro-2H-chromen-4-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-cyano-N-(3,4-dihydro-2H-chromen-4-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-cyano-N-(3,4-dihydro-2H-chromen-4-yl)thiophene-2-sulfonamide is N#Cc1ccc(S(=O)(=O)NC2CCOc3ccccc32)s1.
What is the InChIKey of 5-cyano-N-(3,4-dihydro-2H-chromen-4-yl)thiophene-2-sulfonamide?
The InChIKey is PQQVUAXFCHPIHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3S2/c15-9-10-5-6-14(20-10)21(17,18)16-12-7-8-19-13-4-2-1-3-11(12)13/h1-6,12,16H,7-8H2.
What are the key properties of 5-cyano-N-(3,4-dihydro-2H-chromen-4-yl)thiophene-2-sulfonamide?
5-cyano-N-(3,4-dihydro-2H-chromen-4-yl)thiophene-2-sulfonamide has a molecular weight of 320.40 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-(3,4-dihydro-2H-chromen-4-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 106268057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).