(3R)-N-(4-cyanophenyl)-5-methoxy-3-(methylamino)-3,4-dihydro-2H-chromene-8-sulfonamide

C18H19N3O4S — CID 11999125

IUPAC(3R)-N-(4-cyanophenyl)-5-methoxy-3-(methylamino)-3,4-dihydro-2H-chromene-8-sulfonamide
SMILESCN[C@H]1COc2c(S(=O)(=O)Nc3ccc(C#N)cc3)ccc(OC)c2C1
InChIInChI=1S/C18H19N3O4S/c1-20-14-9-15-16(24-2)7-8-17(18(15)25-11-14)26(22,23)21-13-5-3-12(10-19)4-6-13/h3-8,14,20-21H,9,11H2,1-2H3/t14-/m1/s1
InChIKeyGWJFSLQVDMTOCK-CQSZACIVSA-N
MW373.43 g/mol
LogP1.89
Rot. Bonds5

About (3R)-N-(4-cyanophenyl)-5-methoxy-3-(methylamino)-3,4-dihydro-2H-chromene-8-sulfonamide

(3R)-N-(4-cyanophenyl)-5-methoxy-3-(methylamino)-3,4-dihydro-2H-chromene-8-sulfonamide (PubChem CID 11999125) has the molecular formula C18H19N3O4S and a molecular weight of 373.43 g/mol. Its IUPAC name is (3R)-N-(4-cyanophenyl)-5-methoxy-3-(methylamino)-3,4-dihydro-2H-chromene-8-sulfonamide.

Molecular Properties

Compound Name(3R)-N-(4-cyanophenyl)-5-methoxy-3-(methylamino)-3,4-dihydro-2H-chromene-8-sulfonamide
PubChem CID11999125
Molecular FormulaC18H19N3O4S
Molecular Weight373.43 g/mol
Exact Mass373.11
IUPAC Name(3R)-N-(4-cyanophenyl)-5-methoxy-3-(methylamino)-3,4-dihydro-2H-chromene-8-sulfonamide
SMILESCN[C@H]1COc2c(S(=O)(=O)Nc3ccc(C#N)cc3)ccc(OC)c2C1
InChIInChI=1S/C18H19N3O4S/c1-20-14-9-15-16(24-2)7-8-17(18(15)25-11-14)26(22,23)21-13-5-3-12(10-19)4-6-13/h3-8,14,20-21H,9,11H2,1-2H3/t14-/m1/s1
InChIKeyGWJFSLQVDMTOCK-CQSZACIVSA-N
XLogP1.89
TPSA100.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl N-[(3R)-5-methoxy-8-(phenylsulfamoyl)-3,4-dihydro-2H-chromen-3-yl]carbamate;(3R)-5-methoxy-3-(methylamino)-N-phenyl-3,4-dihydro-2H-chromene-8-sulfonamide
CID 162129396
N-(4-cyanophenyl)-2-methoxybenzenesulfonamide
CID 47104401
N-(4-chlorophenyl)-4-methoxy-6-(methylamino)-5,6,7,8-tetrahydronaphthalene-1-sulfonamide
CID 73173660
N-(4-cyanophenyl)-2-methoxy-5-propan-2-ylbenzenesulfonamide
CID 110757601
(3R)-N-(3-chloro-4-fluorophenyl)-5-methoxy-3-[methyl(propan-2-yl)amino]-3,4-dihydro-2H-chromene-8-sulfonamide
CID 11998900
2-cyano-N-[(3R)-3-(dimethylamino)-5-methoxy-3,4-dihydro-2H-chromen-8-yl]benzenesulfonamide
CID 68952502
2-amino-N-(4-cyanophenyl)-4-methoxybenzenesulfonamide
CID 29296458
N-[(4-cyanophenyl)methyl]-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 46673405
N-(4-cyanophenyl)-3,4-dimethylbenzenesulfonamide
CID 26969626
4-amino-N-(4-cyanophenyl)-2-methylbenzenesulfonamide
CID 43257695
5-bromo-N-(4-cyanophenyl)-2-ethoxybenzenesulfonamide
CID 7939000
4-amino-N-(3-cyanophenyl)-2-methoxybenzenesulfonamide
CID 43257540

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(4-cyanophenyl)-5-methoxy-3-(methylamino)-3,4-dihydro-2H-chromene-8-sulfonamide?
The IUPAC name of (3R)-N-(4-cyanophenyl)-5-methoxy-3-(methylamino)-3,4-dihydro-2H-chromene-8-sulfonamide (CID 11999125) is (3R)-N-(4-cyanophenyl)-5-methoxy-3-(methylamino)-3,4-dihydro-2H-chromene-8-sulfonamide.
What is the SMILES notation for (3R)-N-(4-cyanophenyl)-5-methoxy-3-(methylamino)-3,4-dihydro-2H-chromene-8-sulfonamide?
The canonical SMILES for (3R)-N-(4-cyanophenyl)-5-methoxy-3-(methylamino)-3,4-dihydro-2H-chromene-8-sulfonamide is CN[C@H]1COc2c(S(=O)(=O)Nc3ccc(C#N)cc3)ccc(OC)c2C1.
What is the InChIKey of (3R)-N-(4-cyanophenyl)-5-methoxy-3-(methylamino)-3,4-dihydro-2H-chromene-8-sulfonamide?
The InChIKey is GWJFSLQVDMTOCK-CQSZACIVSA-N. The full InChI is InChI=1S/C18H19N3O4S/c1-20-14-9-15-16(24-2)7-8-17(18(15)25-11-14)26(22,23)21-13-5-3-12(10-19)4-6-13/h3-8,14,20-21H,9,11H2,1-2H3/t14-/m1/s1.
What are the key properties of (3R)-N-(4-cyanophenyl)-5-methoxy-3-(methylamino)-3,4-dihydro-2H-chromene-8-sulfonamide?
(3R)-N-(4-cyanophenyl)-5-methoxy-3-(methylamino)-3,4-dihydro-2H-chromene-8-sulfonamide has a molecular weight of 373.43 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(4-cyanophenyl)-5-methoxy-3-(methylamino)-3,4-dihydro-2H-chromene-8-sulfonamide is sourced from PubChem (CID 11999125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).