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

C17H20N2O4S — CID 11999010

IUPAC(3R)-5-methoxy-3-(methylamino)-N-phenyl-3,4-dihydro-2H-chromene-8-sulfonamide
SMILESCN[C@H]1COc2c(S(=O)(=O)Nc3ccccc3)ccc(OC)c2C1
InChIInChI=1S/C17H20N2O4S/c1-18-13-10-14-15(22-2)8-9-16(17(14)23-11-13)24(20,21)19-12-6-4-3-5-7-12/h3-9,13,18-19H,10-11H2,1-2H3/t13-/m1/s1
InChIKeyRRYZTPKGYUZQEX-CYBMUJFWSA-N
MW348.42 g/mol
LogP2.02
Rot. Bonds5

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

(3R)-5-methoxy-3-(methylamino)-N-phenyl-3,4-dihydro-2H-chromene-8-sulfonamide (PubChem CID 11999010) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is (3R)-5-methoxy-3-(methylamino)-N-phenyl-3,4-dihydro-2H-chromene-8-sulfonamide.

Molecular Properties

Compound Name(3R)-5-methoxy-3-(methylamino)-N-phenyl-3,4-dihydro-2H-chromene-8-sulfonamide
PubChem CID11999010
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC Name(3R)-5-methoxy-3-(methylamino)-N-phenyl-3,4-dihydro-2H-chromene-8-sulfonamide
SMILESCN[C@H]1COc2c(S(=O)(=O)Nc3ccccc3)ccc(OC)c2C1
InChIInChI=1S/C17H20N2O4S/c1-18-13-10-14-15(22-2)8-9-16(17(14)23-11-13)24(20,21)19-12-6-4-3-5-7-12/h3-9,13,18-19H,10-11H2,1-2H3/t13-/m1/s1
InChIKeyRRYZTPKGYUZQEX-CYBMUJFWSA-N
XLogP2.02
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R)-5-methoxy-3-(methylamino)-N-phenyl-3,4-dihydro-2H-chromene-8-sulfonamide?
The IUPAC name of (3R)-5-methoxy-3-(methylamino)-N-phenyl-3,4-dihydro-2H-chromene-8-sulfonamide (CID 11999010) is (3R)-5-methoxy-3-(methylamino)-N-phenyl-3,4-dihydro-2H-chromene-8-sulfonamide.
What is the SMILES notation for (3R)-5-methoxy-3-(methylamino)-N-phenyl-3,4-dihydro-2H-chromene-8-sulfonamide?
The canonical SMILES for (3R)-5-methoxy-3-(methylamino)-N-phenyl-3,4-dihydro-2H-chromene-8-sulfonamide is CN[C@H]1COc2c(S(=O)(=O)Nc3ccccc3)ccc(OC)c2C1.
What is the InChIKey of (3R)-5-methoxy-3-(methylamino)-N-phenyl-3,4-dihydro-2H-chromene-8-sulfonamide?
The InChIKey is RRYZTPKGYUZQEX-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-18-13-10-14-15(22-2)8-9-16(17(14)23-11-13)24(20,21)19-12-6-4-3-5-7-12/h3-9,13,18-19H,10-11H2,1-2H3/t13-/m1/s1.
What are the key properties of (3R)-5-methoxy-3-(methylamino)-N-phenyl-3,4-dihydro-2H-chromene-8-sulfonamide?
(3R)-5-methoxy-3-(methylamino)-N-phenyl-3,4-dihydro-2H-chromene-8-sulfonamide has a molecular weight of 348.42 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-methoxy-3-(methylamino)-N-phenyl-3,4-dihydro-2H-chromene-8-sulfonamide is sourced from PubChem (CID 11999010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).