N-(3-cyanophenyl)sulfonyl-3,4-dihydro-2H-chromene-3-carboxamide

C17H14N2O4S — CID 71940240

IUPACN-(3-cyanophenyl)sulfonyl-3,4-dihydro-2H-chromene-3-carboxamide
SMILESN#Cc1cccc(S(=O)(=O)NC(=O)C2COc3ccccc3C2)c1
InChIInChI=1S/C17H14N2O4S/c18-10-12-4-3-6-15(8-12)24(21,22)19-17(20)14-9-13-5-1-2-7-16(13)23-11-14/h1-8,14H,9,11H2,(H,19,20)
InChIKeyHFSMXMDZEVXMDC-UHFFFAOYSA-N
MW342.38 g/mol
LogP1.61
Rot. Bonds3

About N-(3-cyanophenyl)sulfonyl-3,4-dihydro-2H-chromene-3-carboxamide

N-(3-cyanophenyl)sulfonyl-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 71940240) has the molecular formula C17H14N2O4S and a molecular weight of 342.38 g/mol. Its IUPAC name is N-(3-cyanophenyl)sulfonyl-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)sulfonyl-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID71940240
Molecular FormulaC17H14N2O4S
Molecular Weight342.38 g/mol
Exact Mass342.07
IUPAC NameN-(3-cyanophenyl)sulfonyl-3,4-dihydro-2H-chromene-3-carboxamide
SMILESN#Cc1cccc(S(=O)(=O)NC(=O)C2COc3ccccc3C2)c1
InChIInChI=1S/C17H14N2O4S/c18-10-12-4-3-6-15(8-12)24(21,22)19-17(20)14-9-13-5-1-2-7-16(13)23-11-14/h1-8,14H,9,11H2,(H,19,20)
InChIKeyHFSMXMDZEVXMDC-UHFFFAOYSA-N
XLogP1.61
TPSA96.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.38
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 56796436
3-cyano-N-(3,4-dihydro-2H-chromen-3-ylmethyl)benzenesulfonamide
CID 51238144
N-(2-cyanophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 60675908
N-ethyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 42891679
N-(3-cyanophenyl)sulfonyl-2-(2,3-dihydro-1-benzofuran-5-yl)acetamide
CID 56814800
N-(3-cyanopropyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 63589285
(3R)-N-benzyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 9243365
N-(1-cyanocyclohexyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 60704683
N-(4-cyanobutyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 63284588
trans-(1S,2S)-N-(3-cyanophenyl)sulfonyl-2-ethoxycyclopropane-1-carboxamide
CID 95306951
cis-(1S,2R)-N-(3-cyanophenyl)sulfonyl-2-ethoxycyclopropane-1-carboxamide
CID 95306950
(3R)-N-[(2-methylpropan-2-yl)oxy]-3,4-dihydro-2H-chromene-3-carboxamide
CID 97072881

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)sulfonyl-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of N-(3-cyanophenyl)sulfonyl-3,4-dihydro-2H-chromene-3-carboxamide (CID 71940240) is N-(3-cyanophenyl)sulfonyl-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for N-(3-cyanophenyl)sulfonyl-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for N-(3-cyanophenyl)sulfonyl-3,4-dihydro-2H-chromene-3-carboxamide is N#Cc1cccc(S(=O)(=O)NC(=O)C2COc3ccccc3C2)c1.
What is the InChIKey of N-(3-cyanophenyl)sulfonyl-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is HFSMXMDZEVXMDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O4S/c18-10-12-4-3-6-15(8-12)24(21,22)19-17(20)14-9-13-5-1-2-7-16(13)23-11-14/h1-8,14H,9,11H2,(H,19,20).
What are the key properties of N-(3-cyanophenyl)sulfonyl-3,4-dihydro-2H-chromene-3-carboxamide?
N-(3-cyanophenyl)sulfonyl-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 342.38 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)sulfonyl-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 71940240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).