4-[[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfamoyl]benzamide

C18H18F2N2O4S — CID 86870489

IUPAC4-[[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfamoyl]benzamide
SMILESNC(=O)c1ccc(S(=O)(=O)NC2CCCc3cc(OC(F)F)ccc32)cc1
InChIInChI=1S/C18H18F2N2O4S/c19-18(20)26-13-6-9-15-12(10-13)2-1-3-16(15)22-27(24,25)14-7-4-11(5-8-14)17(21)23/h4-10,16,18,22H,1-3H2,(H2,21,23)
InChIKeyVVJVLFVEJVGJBK-UHFFFAOYSA-N
MW396.42 g/mol
LogP2.74
Rot. Bonds6

About 4-[[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfamoyl]benzamide

4-[[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfamoyl]benzamide (PubChem CID 86870489) has the molecular formula C18H18F2N2O4S and a molecular weight of 396.42 g/mol. Its IUPAC name is 4-[[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfamoyl]benzamide.

Molecular Properties

Compound Name4-[[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfamoyl]benzamide
PubChem CID86870489
Molecular FormulaC18H18F2N2O4S
Molecular Weight396.42 g/mol
Exact Mass396.10
IUPAC Name4-[[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfamoyl]benzamide
SMILESNC(=O)c1ccc(S(=O)(=O)NC2CCCc3cc(OC(F)F)ccc32)cc1
InChIInChI=1S/C18H18F2N2O4S/c19-18(20)26-13-6-9-15-12(10-13)2-1-3-16(15)22-27(24,25)14-7-4-11(5-8-14)17(21)23/h4-10,16,18,22H,1-3H2,(H2,21,23)
InChIKeyVVJVLFVEJVGJBK-UHFFFAOYSA-N
XLogP2.74
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.42
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]methanesulfonamide
CID 94826773
4-(aminomethyl)-N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide;hydrochloride
CID 119310224
(2R)-2-[[(1R)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-phenylacetamide
CID 94808904
4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylsulfamoyl)benzamide
CID 86924126
4-[[4-(difluoromethoxy)phenyl]sulfamoyl]benzamide
CID 46644155
2-[[5-[[4-(trifluoromethyl)phenyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetic acid
CID 19855465
1-amino-N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]cyclohexane-1-carboxamide;hydrochloride
CID 119310236
N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide
CID 119310217
3-amino-N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]cyclopentane-1-carboxamide
CID 119760686
2-[5-[(4-fluorophenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]-2-hydroxyacetic acid
CID 57296954
3-amino-N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119760687
6-[[(1S)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-N-methylpyridazine-3-carboxamide
CID 95968313

Frequently Asked Questions

What is the IUPAC name of 4-[[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfamoyl]benzamide?
The IUPAC name of 4-[[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfamoyl]benzamide (CID 86870489) is 4-[[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfamoyl]benzamide.
What is the SMILES notation for 4-[[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfamoyl]benzamide?
The canonical SMILES for 4-[[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfamoyl]benzamide is NC(=O)c1ccc(S(=O)(=O)NC2CCCc3cc(OC(F)F)ccc32)cc1.
What is the InChIKey of 4-[[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfamoyl]benzamide?
The InChIKey is VVJVLFVEJVGJBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2O4S/c19-18(20)26-13-6-9-15-12(10-13)2-1-3-16(15)22-27(24,25)14-7-4-11(5-8-14)17(21)23/h4-10,16,18,22H,1-3H2,(H2,21,23).
What are the key properties of 4-[[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfamoyl]benzamide?
4-[[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfamoyl]benzamide has a molecular weight of 396.42 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfamoyl]benzamide is sourced from PubChem (CID 86870489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).