3-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methylsulfamoyl]-N-methylbenzamide

C18H20N2O4S — CID 97146767

IUPAC3-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methylsulfamoyl]-N-methylbenzamide
SMILESCNC(=O)c1cccc(S(=O)(=O)NC[C@H]2COc3ccccc3C2)c1
InChIInChI=1S/C18H20N2O4S/c1-19-18(21)15-6-4-7-16(10-15)25(22,23)20-11-13-9-14-5-2-3-8-17(14)24-12-13/h2-8,10,13,20H,9,11-12H2,1H3,(H,19,21)/t13-/m0/s1
InChIKeyJPVOYJKMXJXCJS-ZDUSSCGKSA-N
MW360.44 g/mol
LogP1.58
Rot. Bonds5

About 3-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methylsulfamoyl]-N-methylbenzamide

3-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methylsulfamoyl]-N-methylbenzamide (PubChem CID 97146767) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is 3-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methylsulfamoyl]-N-methylbenzamide.

Molecular Properties

Compound Name3-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methylsulfamoyl]-N-methylbenzamide
PubChem CID97146767
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC Name3-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methylsulfamoyl]-N-methylbenzamide
SMILESCNC(=O)c1cccc(S(=O)(=O)NC[C@H]2COc3ccccc3C2)c1
InChIInChI=1S/C18H20N2O4S/c1-19-18(21)15-6-4-7-16(10-15)25(22,23)20-11-13-9-14-5-2-3-8-17(14)24-12-13/h2-8,10,13,20H,9,11-12H2,1H3,(H,19,21)/t13-/m0/s1
InChIKeyJPVOYJKMXJXCJS-ZDUSSCGKSA-N
XLogP1.58
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methylsulfamoyl]-N-methylbenzamide
CID 97146768
4-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methylsulfamoyl]-N-methylthiophene-2-carboxamide
CID 97117712
3-N-(3,4-dihydro-2H-chromen-3-ylmethyl)benzene-1,3-disulfonamide
CID 55512090
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 55394850
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3,4-dimethylbenzenesulfonamide
CID 51238126
3-cyano-N-(3,4-dihydro-2H-chromen-3-ylmethyl)benzenesulfonamide
CID 51238144
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3,5-difluorobenzenesulfonamide
CID 51238121
4-chloro-N-(3,4-dihydro-2H-chromen-3-ylmethyl)benzenesulfonamide
CID 51238108
N-methyl-4-[[(4S)-2,3,4,5-tetrahydro-1-benzoxepin-4-yl]methylsulfamoyl]thiophene-2-carboxamide
CID 97204550
(3S)-3-[(diethylsulfamoylamino)methyl]-3,4-dihydro-2H-chromene
CID 94201312
N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 97126102
4-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methylsulfamoyl]-N-methylbenzamide
CID 34143437

Frequently Asked Questions

What is the IUPAC name of 3-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methylsulfamoyl]-N-methylbenzamide?
The IUPAC name of 3-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methylsulfamoyl]-N-methylbenzamide (CID 97146767) is 3-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methylsulfamoyl]-N-methylbenzamide.
What is the SMILES notation for 3-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methylsulfamoyl]-N-methylbenzamide?
The canonical SMILES for 3-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methylsulfamoyl]-N-methylbenzamide is CNC(=O)c1cccc(S(=O)(=O)NC[C@H]2COc3ccccc3C2)c1.
What is the InChIKey of 3-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methylsulfamoyl]-N-methylbenzamide?
The InChIKey is JPVOYJKMXJXCJS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H20N2O4S/c1-19-18(21)15-6-4-7-16(10-15)25(22,23)20-11-13-9-14-5-2-3-8-17(14)24-12-13/h2-8,10,13,20H,9,11-12H2,1H3,(H,19,21)/t13-/m0/s1.
What are the key properties of 3-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methylsulfamoyl]-N-methylbenzamide?
3-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methylsulfamoyl]-N-methylbenzamide has a molecular weight of 360.44 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methylsulfamoyl]-N-methylbenzamide is sourced from PubChem (CID 97146767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).