3-(diethylsulfamoyl)-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)benzamide

C20H23FN2O3S2 — CID 17477542

IUPAC3-(diethylsulfamoyl)-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)benzamide
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)NC2CCSc3c(F)cccc32)c1
InChIInChI=1S/C20H23FN2O3S2/c1-3-23(4-2)28(25,26)15-8-5-7-14(13-15)20(24)22-18-11-12-27-19-16(18)9-6-10-17(19)21/h5-10,13,18H,3-4,11-12H2,1-2H3,(H,22,24)
InChIKeyYVCOLCMJNHRBAY-UHFFFAOYSA-N
MW422.55 g/mol
LogP3.82
Rot. Bonds6

About 3-(diethylsulfamoyl)-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)benzamide

3-(diethylsulfamoyl)-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)benzamide (PubChem CID 17477542) has the molecular formula C20H23FN2O3S2 and a molecular weight of 422.55 g/mol. Its IUPAC name is 3-(diethylsulfamoyl)-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)benzamide.

Molecular Properties

Compound Name3-(diethylsulfamoyl)-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)benzamide
PubChem CID17477542
Molecular FormulaC20H23FN2O3S2
Molecular Weight422.55 g/mol
Exact Mass422.11
IUPAC Name3-(diethylsulfamoyl)-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)benzamide
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)NC2CCSc3c(F)cccc32)c1
InChIInChI=1S/C20H23FN2O3S2/c1-3-23(4-2)28(25,26)15-8-5-7-14(13-15)20(24)22-18-11-12-27-19-16(18)9-6-10-17(19)21/h5-10,13,18H,3-4,11-12H2,1-2H3,(H,22,24)
InChIKeyYVCOLCMJNHRBAY-UHFFFAOYSA-N
XLogP3.82
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(dimethylsulfamoyl)-N-[(4R)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]benzamide
CID 26007631
3-(diethylsulfamoyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 42964993
4-(diethylamino)-N-[(4S)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]benzamide
CID 25393472
N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-4-(methylsulfamoyl)benzamide
CID 55462599
N-[(4S)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-3-nitrobenzamide
CID 25401649
N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-3-(dimethylsulfamoyl)benzamide
CID 7678486
4-fluoro-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)benzamide
CID 17478139
3-ethylsulfonyl-N-[(1S)-4-fluoro-2,3-dihydro-1H-inden-1-yl]benzamide
CID 97248736
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
2-fluoro-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)benzamide
CID 42921932
N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-3-(ethylsulfamoyl)benzamide
CID 26006999

Frequently Asked Questions

What is the IUPAC name of 3-(diethylsulfamoyl)-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)benzamide?
The IUPAC name of 3-(diethylsulfamoyl)-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)benzamide (CID 17477542) is 3-(diethylsulfamoyl)-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)benzamide.
What is the SMILES notation for 3-(diethylsulfamoyl)-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)benzamide?
The canonical SMILES for 3-(diethylsulfamoyl)-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)benzamide is CCN(CC)S(=O)(=O)c1cccc(C(=O)NC2CCSc3c(F)cccc32)c1.
What is the InChIKey of 3-(diethylsulfamoyl)-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)benzamide?
The InChIKey is YVCOLCMJNHRBAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O3S2/c1-3-23(4-2)28(25,26)15-8-5-7-14(13-15)20(24)22-18-11-12-27-19-16(18)9-6-10-17(19)21/h5-10,13,18H,3-4,11-12H2,1-2H3,(H,22,24).
What are the key properties of 3-(diethylsulfamoyl)-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)benzamide?
3-(diethylsulfamoyl)-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)benzamide has a molecular weight of 422.55 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylsulfamoyl)-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)benzamide is sourced from PubChem (CID 17477542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).