N-(3,4-dihydro-1H-isochromen-6-yl)-3,5-difluorobenzenesulfonamide

C15H13F2NO3S — CID 167934200

IUPACN-(3,4-dihydro-1H-isochromen-6-yl)-3,5-difluorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc2c(c1)CCOC2)c1cc(F)cc(F)c1
InChIInChI=1S/C15H13F2NO3S/c16-12-6-13(17)8-15(7-12)22(19,20)18-14-2-1-11-9-21-4-3-10(11)5-14/h1-2,5-8,18H,3-4,9H2
InChIKeyQOIPDSBWMGFZCN-UHFFFAOYSA-N
MW325.34 g/mol
LogP2.84
Rot. Bonds3

About N-(3,4-dihydro-1H-isochromen-6-yl)-3,5-difluorobenzenesulfonamide

N-(3,4-dihydro-1H-isochromen-6-yl)-3,5-difluorobenzenesulfonamide (PubChem CID 167934200) has the molecular formula C15H13F2NO3S and a molecular weight of 325.34 g/mol. Its IUPAC name is N-(3,4-dihydro-1H-isochromen-6-yl)-3,5-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(3,4-dihydro-1H-isochromen-6-yl)-3,5-difluorobenzenesulfonamide
PubChem CID167934200
Molecular FormulaC15H13F2NO3S
Molecular Weight325.34 g/mol
Exact Mass325.06
IUPAC NameN-(3,4-dihydro-1H-isochromen-6-yl)-3,5-difluorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc2c(c1)CCOC2)c1cc(F)cc(F)c1
InChIInChI=1S/C15H13F2NO3S/c16-12-6-13(17)8-15(7-12)22(19,20)18-14-2-1-11-9-21-4-3-10(11)5-14/h1-2,5-8,18H,3-4,9H2
InChIKeyQOIPDSBWMGFZCN-UHFFFAOYSA-N
XLogP2.84
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,3-benzodioxol-5-yl)-3,5-difluorobenzenesulfonamide
CID 26951283
3,5-difluoro-N-[4-(methylamino)phenyl]benzenesulfonamide
CID 43604154
N-(3-amino-4-fluorophenyl)-3,5-difluorobenzenesulfonamide
CID 43604908
N-(4-amino-3-methylphenyl)-3,5-difluorobenzenesulfonamide
CID 43604849
3,5-difluoro-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 26970283
3,5-difluoro-N-(6-fluoro-3-pyridinyl)benzenesulfonamide
CID 113259712
N-(3-bromophenyl)-3,5-difluorobenzenesulfonamide
CID 26951692
N-(4-acetylphenyl)-3,5-difluorobenzenesulfonamide
CID 51170160
N-(6-amino-3-pyridinyl)-3,5-difluorobenzenesulfonamide
CID 60791459
N-(3-fluoro-4-hydroxyphenyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 64780149
N-(3-chloro-5-fluorophenyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 166375642
N-(1,3-benzodioxol-5-yl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 4827704

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-1H-isochromen-6-yl)-3,5-difluorobenzenesulfonamide?
The IUPAC name of N-(3,4-dihydro-1H-isochromen-6-yl)-3,5-difluorobenzenesulfonamide (CID 167934200) is N-(3,4-dihydro-1H-isochromen-6-yl)-3,5-difluorobenzenesulfonamide.
What is the SMILES notation for N-(3,4-dihydro-1H-isochromen-6-yl)-3,5-difluorobenzenesulfonamide?
The canonical SMILES for N-(3,4-dihydro-1H-isochromen-6-yl)-3,5-difluorobenzenesulfonamide is O=S(=O)(Nc1ccc2c(c1)CCOC2)c1cc(F)cc(F)c1.
What is the InChIKey of N-(3,4-dihydro-1H-isochromen-6-yl)-3,5-difluorobenzenesulfonamide?
The InChIKey is QOIPDSBWMGFZCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2NO3S/c16-12-6-13(17)8-15(7-12)22(19,20)18-14-2-1-11-9-21-4-3-10(11)5-14/h1-2,5-8,18H,3-4,9H2.
What are the key properties of N-(3,4-dihydro-1H-isochromen-6-yl)-3,5-difluorobenzenesulfonamide?
N-(3,4-dihydro-1H-isochromen-6-yl)-3,5-difluorobenzenesulfonamide has a molecular weight of 325.34 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-1H-isochromen-6-yl)-3,5-difluorobenzenesulfonamide is sourced from PubChem (CID 167934200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).