6-fluoro-3-[[2-fluoro-3-(sulfamoylamino)phenyl]methyl]-4-methyl-2-oxochromene

C17H14F2N2O4S — CID 123303875

IUPAC6-fluoro-3-[[2-fluoro-3-(sulfamoylamino)phenyl]methyl]-4-methyl-2-oxochromene
SMILESCc1c(Cc2cccc(NS(N)(=O)=O)c2F)c(=O)oc2ccc(F)cc12
InChIInChI=1S/C17H14F2N2O4S/c1-9-12-8-11(18)5-6-15(12)25-17(22)13(9)7-10-3-2-4-14(16(10)19)21-26(20,23)24/h2-6,8,21H,7H2,1H3,(H2,20,23,24)
InChIKeyWXWBBJDYKMLLDJ-UHFFFAOYSA-N
MW380.37 g/mol
LogP2.59
Rot. Bonds4

About 6-fluoro-3-[[2-fluoro-3-(sulfamoylamino)phenyl]methyl]-4-methyl-2-oxochromene

6-fluoro-3-[[2-fluoro-3-(sulfamoylamino)phenyl]methyl]-4-methyl-2-oxochromene (PubChem CID 123303875) has the molecular formula C17H14F2N2O4S and a molecular weight of 380.37 g/mol. Its IUPAC name is 6-fluoro-3-[[2-fluoro-3-(sulfamoylamino)phenyl]methyl]-4-methyl-2-oxochromene.

Molecular Properties

Compound Name6-fluoro-3-[[2-fluoro-3-(sulfamoylamino)phenyl]methyl]-4-methyl-2-oxochromene
PubChem CID123303875
Molecular FormulaC17H14F2N2O4S
Molecular Weight380.37 g/mol
Exact Mass380.06
IUPAC Name6-fluoro-3-[[2-fluoro-3-(sulfamoylamino)phenyl]methyl]-4-methyl-2-oxochromene
SMILESCc1c(Cc2cccc(NS(N)(=O)=O)c2F)c(=O)oc2ccc(F)cc12
InChIInChI=1S/C17H14F2N2O4S/c1-9-12-8-11(18)5-6-15(12)25-17(22)13(9)7-10-3-2-4-14(16(10)19)21-26(20,23)24/h2-6,8,21H,7H2,1H3,(H2,20,23,24)
InChIKeyWXWBBJDYKMLLDJ-UHFFFAOYSA-N
XLogP2.59
TPSA102.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.37
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

3-[(3-amino-2-fluorophenyl)methyl]-6-fluoro-4-methylchromen-2-one
CID 123939894
2-[3-[[2-fluoro-3-(sulfamoylamino)phenyl]methyl]-4-methyl-2-oxochromen-7-yl]oxy-4,5-dihydro-1,3-thiazole
CID 88984077
3-[(3-aminophenyl)methyl]-6-fluoro-4-methylchromen-2-one
CID 123603807
[3-[[2-fluoro-3-(methylsulfamoylamino)phenyl]methyl]-4-methyl-2-oxochromen-7-yl] N-methylcarbamate
CID 89233752
CID 87181285
CID 87181285
7-(1,3-benzothiazol-2-yloxy)-3-[[2-fluoro-3-(methylsulfamoylamino)phenyl]methyl]-4-methylchromen-2-one
CID 24753149
[6-chloro-3-[[3-[(4-chlorophenyl)sulfonylamino]-2-fluorophenyl]methyl]-4-methyl-2-oxochromen-7-yl] N,N-dimethylcarbamate
CID 72706631
2-[3-[[2-chloro-3-(sulfamoylamino)phenyl]methyl]-4-methyl-2-oxochromen-7-yl]oxy-1,3-thiazole
CID 24753606
6-chloro-3-[(2-fluoro-3-nitrophenyl)methyl]-4-methylchromen-2-one
CID 174695864
N-[2-fluoro-3-[[7-[(3-fluoro-2-pyridinyl)oxy]-4-methyl-2-oxochromen-3-yl]methyl]phenyl]ethenesulfonamide
CID 169262664
[3-[(3-amino-2-fluorophenyl)methyl]-6-fluoro-4-methyl-2-oxochromen-7-yl] N,N-dimethylcarbamate
CID 59139159
2-[6-fluoro-3-[[3-fluoro-2-(sulfamoylamino)-4-pyridinyl]methyl]-4-methyl-2-oxochromen-7-yl]oxy-1,3-thiazole
CID 87181122

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-[[2-fluoro-3-(sulfamoylamino)phenyl]methyl]-4-methyl-2-oxochromene?
The IUPAC name of 6-fluoro-3-[[2-fluoro-3-(sulfamoylamino)phenyl]methyl]-4-methyl-2-oxochromene (CID 123303875) is 6-fluoro-3-[[2-fluoro-3-(sulfamoylamino)phenyl]methyl]-4-methyl-2-oxochromene.
What is the SMILES notation for 6-fluoro-3-[[2-fluoro-3-(sulfamoylamino)phenyl]methyl]-4-methyl-2-oxochromene?
The canonical SMILES for 6-fluoro-3-[[2-fluoro-3-(sulfamoylamino)phenyl]methyl]-4-methyl-2-oxochromene is Cc1c(Cc2cccc(NS(N)(=O)=O)c2F)c(=O)oc2ccc(F)cc12.
What is the InChIKey of 6-fluoro-3-[[2-fluoro-3-(sulfamoylamino)phenyl]methyl]-4-methyl-2-oxochromene?
The InChIKey is WXWBBJDYKMLLDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N2O4S/c1-9-12-8-11(18)5-6-15(12)25-17(22)13(9)7-10-3-2-4-14(16(10)19)21-26(20,23)24/h2-6,8,21H,7H2,1H3,(H2,20,23,24).
What are the key properties of 6-fluoro-3-[[2-fluoro-3-(sulfamoylamino)phenyl]methyl]-4-methyl-2-oxochromene?
6-fluoro-3-[[2-fluoro-3-(sulfamoylamino)phenyl]methyl]-4-methyl-2-oxochromene has a molecular weight of 380.37 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-[[2-fluoro-3-(sulfamoylamino)phenyl]methyl]-4-methyl-2-oxochromene is sourced from PubChem (CID 123303875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).