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

C18H22N2O4S — CID 11999009

IUPAC(3R)-3-(dimethylamino)-5-methoxy-N-phenyl-3,4-dihydro-2H-chromene-8-sulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccccc2)c2c1C[C@@H](N(C)C)CO2
InChIInChI=1S/C18H22N2O4S/c1-20(2)14-11-15-16(23-3)9-10-17(18(15)24-12-14)25(21,22)19-13-7-5-4-6-8-13/h4-10,14,19H,11-12H2,1-3H3/t14-/m1/s1
InChIKeyRSHFGZDQFMZAPU-CQSZACIVSA-N
MW362.45 g/mol
LogP2.36
Rot. Bonds5

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

(3R)-3-(dimethylamino)-5-methoxy-N-phenyl-3,4-dihydro-2H-chromene-8-sulfonamide (PubChem CID 11999009) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is (3R)-3-(dimethylamino)-5-methoxy-N-phenyl-3,4-dihydro-2H-chromene-8-sulfonamide.

Molecular Properties

Compound Name(3R)-3-(dimethylamino)-5-methoxy-N-phenyl-3,4-dihydro-2H-chromene-8-sulfonamide
PubChem CID11999009
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC Name(3R)-3-(dimethylamino)-5-methoxy-N-phenyl-3,4-dihydro-2H-chromene-8-sulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccccc2)c2c1C[C@@H](N(C)C)CO2
InChIInChI=1S/C18H22N2O4S/c1-20(2)14-11-15-16(23-3)9-10-17(18(15)24-12-14)25(21,22)19-13-7-5-4-6-8-13/h4-10,14,19H,11-12H2,1-3H3/t14-/m1/s1
InChIKeyRSHFGZDQFMZAPU-CQSZACIVSA-N
XLogP2.36
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R)-3-(dimethylamino)-5-methoxy-N-phenyl-3,4-dihydro-2H-chromene-8-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(dimethylamino)-5-methoxy-N-phenyl-3,4-dihydro-2H-chromene-8-sulfonamide?
The IUPAC name of (3R)-3-(dimethylamino)-5-methoxy-N-phenyl-3,4-dihydro-2H-chromene-8-sulfonamide (CID 11999009) is (3R)-3-(dimethylamino)-5-methoxy-N-phenyl-3,4-dihydro-2H-chromene-8-sulfonamide.
What is the SMILES notation for (3R)-3-(dimethylamino)-5-methoxy-N-phenyl-3,4-dihydro-2H-chromene-8-sulfonamide?
The canonical SMILES for (3R)-3-(dimethylamino)-5-methoxy-N-phenyl-3,4-dihydro-2H-chromene-8-sulfonamide is COc1ccc(S(=O)(=O)Nc2ccccc2)c2c1C[C@@H](N(C)C)CO2.
What is the InChIKey of (3R)-3-(dimethylamino)-5-methoxy-N-phenyl-3,4-dihydro-2H-chromene-8-sulfonamide?
The InChIKey is RSHFGZDQFMZAPU-CQSZACIVSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-20(2)14-11-15-16(23-3)9-10-17(18(15)24-12-14)25(21,22)19-13-7-5-4-6-8-13/h4-10,14,19H,11-12H2,1-3H3/t14-/m1/s1.
What are the key properties of (3R)-3-(dimethylamino)-5-methoxy-N-phenyl-3,4-dihydro-2H-chromene-8-sulfonamide?
(3R)-3-(dimethylamino)-5-methoxy-N-phenyl-3,4-dihydro-2H-chromene-8-sulfonamide has a molecular weight of 362.45 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(dimethylamino)-5-methoxy-N-phenyl-3,4-dihydro-2H-chromene-8-sulfonamide is sourced from PubChem (CID 11999009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).