N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3,5-difluorobenzenesulfonamide

C16H15F2NO3S — CID 51238121

IUPACN-(3,4-dihydro-2H-chromen-3-ylmethyl)-3,5-difluorobenzenesulfonamide
SMILESO=S(=O)(NCC1COc2ccccc2C1)c1cc(F)cc(F)c1
InChIInChI=1S/C16H15F2NO3S/c17-13-6-14(18)8-15(7-13)23(20,21)19-9-11-5-12-3-1-2-4-16(12)22-10-11/h1-4,6-8,11,19H,5,9-10H2
InChIKeyKSUFZHAKRWRDLW-UHFFFAOYSA-N
MW339.36 g/mol
LogP2.49
Rot. Bonds4

About N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3,5-difluorobenzenesulfonamide

N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3,5-difluorobenzenesulfonamide (PubChem CID 51238121) has the molecular formula C16H15F2NO3S and a molecular weight of 339.36 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3,5-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-3-ylmethyl)-3,5-difluorobenzenesulfonamide
PubChem CID51238121
Molecular FormulaC16H15F2NO3S
Molecular Weight339.36 g/mol
Exact Mass339.07
IUPAC NameN-(3,4-dihydro-2H-chromen-3-ylmethyl)-3,5-difluorobenzenesulfonamide
SMILESO=S(=O)(NCC1COc2ccccc2C1)c1cc(F)cc(F)c1
InChIInChI=1S/C16H15F2NO3S/c17-13-6-14(18)8-15(7-13)23(20,21)19-9-11-5-12-3-1-2-4-16(12)22-10-11/h1-4,6-8,11,19H,5,9-10H2
InChIKeyKSUFZHAKRWRDLW-UHFFFAOYSA-N
XLogP2.49
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-(3,4-dihydro-2H-chromen-3-ylmethyl)benzenesulfonamide
CID 51238108
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-dimethylbenzenesulfonamide
CID 51238126
3-cyano-N-(3,4-dihydro-2H-chromen-3-ylmethyl)benzenesulfonamide
CID 51238144
N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 97126102
3-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methylsulfamoyl]-N-methylbenzamide
CID 97146767
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
(3S)-3-[(diethylsulfamoylamino)methyl]-3,4-dihydro-2H-chromene
CID 94201312
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-propylpyrazole-3-sulfonamide
CID 72914852
3,4-dihydro-2H-chromen-3-ylmethylhydrazine
CID 63589103
2-(3,4-dihydro-2H-chromen-3-yl)acetaldehyde
CID 142734505

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3,5-difluorobenzenesulfonamide?
The IUPAC name of N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3,5-difluorobenzenesulfonamide (CID 51238121) is N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3,5-difluorobenzenesulfonamide.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3,5-difluorobenzenesulfonamide?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3,5-difluorobenzenesulfonamide is O=S(=O)(NCC1COc2ccccc2C1)c1cc(F)cc(F)c1.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3,5-difluorobenzenesulfonamide?
The InChIKey is KSUFZHAKRWRDLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO3S/c17-13-6-14(18)8-15(7-13)23(20,21)19-9-11-5-12-3-1-2-4-16(12)22-10-11/h1-4,6-8,11,19H,5,9-10H2.
What are the key properties of N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3,5-difluorobenzenesulfonamide?
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3,5-difluorobenzenesulfonamide has a molecular weight of 339.36 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3,5-difluorobenzenesulfonamide is sourced from PubChem (CID 51238121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).