N-(3,4-dihydro-2H-thiochromen-4-yl)-4-methoxy-3,5-dimethylbenzenesulfonamide

C18H21NO3S2 — CID 112823036

IUPACN-(3,4-dihydro-2H-thiochromen-4-yl)-4-methoxy-3,5-dimethylbenzenesulfonamide
SMILESCOc1c(C)cc(S(=O)(=O)NC2CCSc3ccccc32)cc1C
InChIInChI=1S/C18H21NO3S2/c1-12-10-14(11-13(2)18(12)22-3)24(20,21)19-16-8-9-23-17-7-5-4-6-15(16)17/h4-7,10-11,16,19H,8-9H2,1-3H3
InChIKeySNRFEEIYPXHQIU-UHFFFAOYSA-N
MW363.50 g/mol
LogP3.83
Rot. Bonds4

About N-(3,4-dihydro-2H-thiochromen-4-yl)-4-methoxy-3,5-dimethylbenzenesulfonamide

N-(3,4-dihydro-2H-thiochromen-4-yl)-4-methoxy-3,5-dimethylbenzenesulfonamide (PubChem CID 112823036) has the molecular formula C18H21NO3S2 and a molecular weight of 363.50 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-thiochromen-4-yl)-4-methoxy-3,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-thiochromen-4-yl)-4-methoxy-3,5-dimethylbenzenesulfonamide
PubChem CID112823036
Molecular FormulaC18H21NO3S2
Molecular Weight363.50 g/mol
Exact Mass363.10
IUPAC NameN-(3,4-dihydro-2H-thiochromen-4-yl)-4-methoxy-3,5-dimethylbenzenesulfonamide
SMILESCOc1c(C)cc(S(=O)(=O)NC2CCSc3ccccc32)cc1C
InChIInChI=1S/C18H21NO3S2/c1-12-10-14(11-13(2)18(12)22-3)24(20,21)19-16-8-9-23-17-7-5-4-6-15(16)17/h4-7,10-11,16,19H,8-9H2,1-3H3
InChIKeySNRFEEIYPXHQIU-UHFFFAOYSA-N
XLogP3.83
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.50
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-2-methoxy-5-methylbenzenesulfonamide
CID 8799527
4-N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]benzene-1,4-disulfonamide
CID 26529063
dimethyl 5-[[(4S)-3,4-dihydro-2H-thiochromen-4-yl]sulfamoyl]-3-methylthiophene-2,4-dicarboxylate
CID 40846926
N-(3,4-dihydro-2H-thiochromen-4-yl)-2,5-difluorobenzenesulfonamide
CID 17486240
N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 7678552
4-bromo-2-chloro-N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]benzenesulfonamide
CID 25483882
dimethyl 5-[[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]sulfamoyl]benzene-1,3-dicarboxylate
CID 26541547
N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-3-(methylsulfamoyl)benzamide
CID 41176413
N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-2,5-dimethylthiophene-3-carboxamide
CID 8893170
N-(2,3-dihydro-1H-inden-1-yl)-3,4-dimethoxybenzenesulfonamide
CID 583390
N-[3-[[(4R)-3,4-dihydro-2H-thiochromen-4-yl]sulfamoyl]-4-ethoxyphenyl]acetamide
CID 39952772
N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-3-(ethylsulfamoyl)benzamide
CID 26006999

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-thiochromen-4-yl)-4-methoxy-3,5-dimethylbenzenesulfonamide?
The IUPAC name of N-(3,4-dihydro-2H-thiochromen-4-yl)-4-methoxy-3,5-dimethylbenzenesulfonamide (CID 112823036) is N-(3,4-dihydro-2H-thiochromen-4-yl)-4-methoxy-3,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(3,4-dihydro-2H-thiochromen-4-yl)-4-methoxy-3,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-(3,4-dihydro-2H-thiochromen-4-yl)-4-methoxy-3,5-dimethylbenzenesulfonamide is COc1c(C)cc(S(=O)(=O)NC2CCSc3ccccc32)cc1C.
What is the InChIKey of N-(3,4-dihydro-2H-thiochromen-4-yl)-4-methoxy-3,5-dimethylbenzenesulfonamide?
The InChIKey is SNRFEEIYPXHQIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3S2/c1-12-10-14(11-13(2)18(12)22-3)24(20,21)19-16-8-9-23-17-7-5-4-6-15(16)17/h4-7,10-11,16,19H,8-9H2,1-3H3.
What are the key properties of N-(3,4-dihydro-2H-thiochromen-4-yl)-4-methoxy-3,5-dimethylbenzenesulfonamide?
N-(3,4-dihydro-2H-thiochromen-4-yl)-4-methoxy-3,5-dimethylbenzenesulfonamide has a molecular weight of 363.50 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-thiochromen-4-yl)-4-methoxy-3,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 112823036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).