4-(dimethylsulfamoyl)-N-[(4R)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]benzamide

C18H19FN2O3S2 — CID 26007631

IUPAC4-(dimethylsulfamoyl)-N-[(4R)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)N[C@@H]2CCSc3c(F)cccc32)cc1
InChIInChI=1S/C18H19FN2O3S2/c1-21(2)26(23,24)13-8-6-12(7-9-13)18(22)20-16-10-11-25-17-14(16)4-3-5-15(17)19/h3-9,16H,10-11H2,1-2H3,(H,20,22)/t16-/m1/s1
InChIKeyYLHBHNIPTISZEM-MRXNPFEDSA-N
MW394.49 g/mol
LogP3.04
Rot. Bonds4

About 4-(dimethylsulfamoyl)-N-[(4R)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]benzamide

4-(dimethylsulfamoyl)-N-[(4R)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]benzamide (PubChem CID 26007631) has the molecular formula C18H19FN2O3S2 and a molecular weight of 394.49 g/mol. Its IUPAC name is 4-(dimethylsulfamoyl)-N-[(4R)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]benzamide.

Molecular Properties

Compound Name4-(dimethylsulfamoyl)-N-[(4R)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]benzamide
PubChem CID26007631
Molecular FormulaC18H19FN2O3S2
Molecular Weight394.49 g/mol
Exact Mass394.08
IUPAC Name4-(dimethylsulfamoyl)-N-[(4R)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)N[C@@H]2CCSc3c(F)cccc32)cc1
InChIInChI=1S/C18H19FN2O3S2/c1-21(2)26(23,24)13-8-6-12(7-9-13)18(22)20-16-10-11-25-17-14(16)4-3-5-15(17)19/h3-9,16H,10-11H2,1-2H3,(H,20,22)/t16-/m1/s1
InChIKeyYLHBHNIPTISZEM-MRXNPFEDSA-N
XLogP3.04
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.49
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-4-(methylsulfamoyl)benzamide
CID 55462599
4-fluoro-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)benzamide
CID 17478139
N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-4-piperidin-1-ylsulfonylbenzamide
CID 17475582
4-cyano-N-[(4S)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]benzamide
CID 26006701
3-(diethylsulfamoyl)-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)benzamide
CID 17477542
4-(diethylamino)-N-[(4S)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]benzamide
CID 25393472
2-fluoro-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)benzamide
CID 42921932
N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-3-(dimethylsulfamoyl)benzamide
CID 7678486
1-[(4S)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-3-(4-sulfamoylphenyl)urea
CID 27870361
N-[(4S)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide
CID 40895893
N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide
CID 17433637
4-acetyl-N-[(4S)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-1H-pyrrole-2-carboxamide
CID 25402071

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylsulfamoyl)-N-[(4R)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]benzamide?
The IUPAC name of 4-(dimethylsulfamoyl)-N-[(4R)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]benzamide (CID 26007631) is 4-(dimethylsulfamoyl)-N-[(4R)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]benzamide.
What is the SMILES notation for 4-(dimethylsulfamoyl)-N-[(4R)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]benzamide?
The canonical SMILES for 4-(dimethylsulfamoyl)-N-[(4R)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]benzamide is CN(C)S(=O)(=O)c1ccc(C(=O)N[C@@H]2CCSc3c(F)cccc32)cc1.
What is the InChIKey of 4-(dimethylsulfamoyl)-N-[(4R)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]benzamide?
The InChIKey is YLHBHNIPTISZEM-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H19FN2O3S2/c1-21(2)26(23,24)13-8-6-12(7-9-13)18(22)20-16-10-11-25-17-14(16)4-3-5-15(17)19/h3-9,16H,10-11H2,1-2H3,(H,20,22)/t16-/m1/s1.
What are the key properties of 4-(dimethylsulfamoyl)-N-[(4R)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]benzamide?
4-(dimethylsulfamoyl)-N-[(4R)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]benzamide has a molecular weight of 394.49 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylsulfamoyl)-N-[(4R)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]benzamide is sourced from PubChem (CID 26007631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).