N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-2-methoxy-5-methylbenzenesulfonamide

C17H19NO3S2 — CID 8799527

IUPACN-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-2-methoxy-5-methylbenzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)N[C@@H]1CCSc2ccccc21
InChIInChI=1S/C17H19NO3S2/c1-12-7-8-15(21-2)17(11-12)23(19,20)18-14-9-10-22-16-6-4-3-5-13(14)16/h3-8,11,14,18H,9-10H2,1-2H3/t14-/m1/s1
InChIKeyDZFXOMRXESENLI-CQSZACIVSA-N
MW349.48 g/mol
LogP3.52
Rot. Bonds4

About N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-2-methoxy-5-methylbenzenesulfonamide

N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-2-methoxy-5-methylbenzenesulfonamide (PubChem CID 8799527) has the molecular formula C17H19NO3S2 and a molecular weight of 349.48 g/mol. Its IUPAC name is N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-2-methoxy-5-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-2-methoxy-5-methylbenzenesulfonamide
PubChem CID8799527
Molecular FormulaC17H19NO3S2
Molecular Weight349.48 g/mol
Exact Mass349.08
IUPAC NameN-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-2-methoxy-5-methylbenzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)N[C@@H]1CCSc2ccccc21
InChIInChI=1S/C17H19NO3S2/c1-12-7-8-15(21-2)17(11-12)23(19,20)18-14-9-10-22-16-6-4-3-5-13(14)16/h3-8,11,14,18H,9-10H2,1-2H3/t14-/m1/s1
InChIKeyDZFXOMRXESENLI-CQSZACIVSA-N
XLogP3.52
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-2-methoxy-5-methylbenzenesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(3,4-dihydro-2H-thiochromen-4-yl)-4-methoxy-3,5-dimethylbenzenesulfonamide
CID 112823036
N-[3-[[(4R)-3,4-dihydro-2H-thiochromen-4-yl]sulfamoyl]-4-ethoxyphenyl]acetamide
CID 39952772
N-(3,4-dihydro-2H-thiochromen-4-yl)-2,5-difluorobenzenesulfonamide
CID 17486240
N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 9327585
5-bromo-N-[(4S)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-2-methoxybenzenesulfonamide
CID 25472037
4-bromo-2-chloro-N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]benzenesulfonamide
CID 25483882
N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide
CID 40985121
N-(2-aminocyclopentyl)-2-methoxy-5-methylbenzenesulfonamide
CID 63252483
5-bromo-2-methoxy-N-(2-oxothiolan-3-yl)benzenesulfonamide
CID 25040467
N-[(1R,1aR,6aR)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-2-methoxy-5-methylbenzenesulfonamide
CID 129403673
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2,4-dimethylbenzenesulfonamide
CID 42887686
4-N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]benzene-1,4-disulfonamide
CID 26529063

Frequently Asked Questions

What is the IUPAC name of N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-2-methoxy-5-methylbenzenesulfonamide?
The IUPAC name of N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-2-methoxy-5-methylbenzenesulfonamide (CID 8799527) is N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-2-methoxy-5-methylbenzenesulfonamide.
What is the SMILES notation for N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-2-methoxy-5-methylbenzenesulfonamide?
The canonical SMILES for N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-2-methoxy-5-methylbenzenesulfonamide is COc1ccc(C)cc1S(=O)(=O)N[C@@H]1CCSc2ccccc21.
What is the InChIKey of N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-2-methoxy-5-methylbenzenesulfonamide?
The InChIKey is DZFXOMRXESENLI-CQSZACIVSA-N. The full InChI is InChI=1S/C17H19NO3S2/c1-12-7-8-15(21-2)17(11-12)23(19,20)18-14-9-10-22-16-6-4-3-5-13(14)16/h3-8,11,14,18H,9-10H2,1-2H3/t14-/m1/s1.
What are the key properties of N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-2-methoxy-5-methylbenzenesulfonamide?
N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-2-methoxy-5-methylbenzenesulfonamide has a molecular weight of 349.48 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-2-methoxy-5-methylbenzenesulfonamide is sourced from PubChem (CID 8799527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).