2-cyano-N-[(3R)-3-(dimethylamino)-5-methoxy-3,4-dihydro-2H-chromen-8-yl]benzenesulfonamide

C19H21N3O4S — CID 68952502

IUPAC2-cyano-N-[(3R)-3-(dimethylamino)-5-methoxy-3,4-dihydro-2H-chromen-8-yl]benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccccc2C#N)c2c1C[C@@H](N(C)C)CO2
InChIInChI=1S/C19H21N3O4S/c1-22(2)14-10-15-17(25-3)9-8-16(19(15)26-12-14)21-27(23,24)18-7-5-4-6-13(18)11-20/h4-9,14,21H,10,12H2,1-3H3/t14-/m1/s1
InChIKeyIAVIJXWFXIMGSJ-CQSZACIVSA-N
MW387.46 g/mol
LogP2.23
Rot. Bonds5

About 2-cyano-N-[(3R)-3-(dimethylamino)-5-methoxy-3,4-dihydro-2H-chromen-8-yl]benzenesulfonamide

2-cyano-N-[(3R)-3-(dimethylamino)-5-methoxy-3,4-dihydro-2H-chromen-8-yl]benzenesulfonamide (PubChem CID 68952502) has the molecular formula C19H21N3O4S and a molecular weight of 387.46 g/mol. Its IUPAC name is 2-cyano-N-[(3R)-3-(dimethylamino)-5-methoxy-3,4-dihydro-2H-chromen-8-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-cyano-N-[(3R)-3-(dimethylamino)-5-methoxy-3,4-dihydro-2H-chromen-8-yl]benzenesulfonamide
PubChem CID68952502
Molecular FormulaC19H21N3O4S
Molecular Weight387.46 g/mol
Exact Mass387.13
IUPAC Name2-cyano-N-[(3R)-3-(dimethylamino)-5-methoxy-3,4-dihydro-2H-chromen-8-yl]benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccccc2C#N)c2c1C[C@@H](N(C)C)CO2
InChIInChI=1S/C19H21N3O4S/c1-22(2)14-10-15-17(25-3)9-8-16(19(15)26-12-14)21-27(23,24)18-7-5-4-6-13(18)11-20/h4-9,14,21H,10,12H2,1-3H3/t14-/m1/s1
InChIKeyIAVIJXWFXIMGSJ-CQSZACIVSA-N
XLogP2.23
TPSA91.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-cyano-N-[(3R)-3-(dimethylamino)-5-methoxy-3,4-dihydro-2H-chromen-8-yl]benzenesulfonamide with MolForge

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Related Compounds

N-[(3R)-3-(dimethylamino)-5-methoxy-3,4-dihydro-2H-chromen-8-yl]-4-methylnaphthalene-1-sulfonamide
CID 15949694
4-tert-butyl-N-[(3R)-3-(dimethylamino)-5-methoxy-3,4-dihydro-2H-chromen-8-yl]benzenesulfonamide
CID 15949035
2,5-dichloro-N-[(3R)-3-(dimethylamino)-5-methoxy-3,4-dihydro-2H-chromen-8-yl]benzenesulfonamide
CID 68953815
N-[(3R)-3-(dimethylamino)-5-methoxy-3,4-dihydro-2H-chromen-8-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 68954115
2-cyano-N-(2,4-dimethoxy-3-methylphenyl)benzenesulfonamide
CID 110777916
N-[(3R)-3-(dimethylamino)-5-methoxy-3,4-dihydro-2H-chromen-8-yl]-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide
CID 68956147
N-(5-bromo-2-methoxyphenyl)-2-cyanobenzenesulfonamide
CID 61061898
2-cyano-N-(4-methoxy-2,5-dimethylphenyl)benzenesulfonamide
CID 110776899
2-cyano-N-(2-propan-2-yloxyphenyl)benzenesulfonamide
CID 110756477
N-[3-[(2-cyanophenyl)sulfonylamino]-4-methoxyphenyl]acetamide
CID 9330046
N-[(6S)-6-(dimethylamino)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl]benzenesulfonamide
CID 68955632
8-(benzhydrylideneamino)-5-methoxy-N,N-dimethyl-3,4-dihydro-2H-chromen-3-amine
CID 76565019

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[(3R)-3-(dimethylamino)-5-methoxy-3,4-dihydro-2H-chromen-8-yl]benzenesulfonamide?
The IUPAC name of 2-cyano-N-[(3R)-3-(dimethylamino)-5-methoxy-3,4-dihydro-2H-chromen-8-yl]benzenesulfonamide (CID 68952502) is 2-cyano-N-[(3R)-3-(dimethylamino)-5-methoxy-3,4-dihydro-2H-chromen-8-yl]benzenesulfonamide.
What is the SMILES notation for 2-cyano-N-[(3R)-3-(dimethylamino)-5-methoxy-3,4-dihydro-2H-chromen-8-yl]benzenesulfonamide?
The canonical SMILES for 2-cyano-N-[(3R)-3-(dimethylamino)-5-methoxy-3,4-dihydro-2H-chromen-8-yl]benzenesulfonamide is COc1ccc(NS(=O)(=O)c2ccccc2C#N)c2c1C[C@@H](N(C)C)CO2.
What is the InChIKey of 2-cyano-N-[(3R)-3-(dimethylamino)-5-methoxy-3,4-dihydro-2H-chromen-8-yl]benzenesulfonamide?
The InChIKey is IAVIJXWFXIMGSJ-CQSZACIVSA-N. The full InChI is InChI=1S/C19H21N3O4S/c1-22(2)14-10-15-17(25-3)9-8-16(19(15)26-12-14)21-27(23,24)18-7-5-4-6-13(18)11-20/h4-9,14,21H,10,12H2,1-3H3/t14-/m1/s1.
What are the key properties of 2-cyano-N-[(3R)-3-(dimethylamino)-5-methoxy-3,4-dihydro-2H-chromen-8-yl]benzenesulfonamide?
2-cyano-N-[(3R)-3-(dimethylamino)-5-methoxy-3,4-dihydro-2H-chromen-8-yl]benzenesulfonamide has a molecular weight of 387.46 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[(3R)-3-(dimethylamino)-5-methoxy-3,4-dihydro-2H-chromen-8-yl]benzenesulfonamide is sourced from PubChem (CID 68952502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).