N-[(1S)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]methanesulfonamide

C12H15F2NO3S — CID 94826773

IUPACN-[(1S)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]methanesulfonamide
SMILESCS(=O)(=O)N[C@H]1CCCc2cc(OC(F)F)ccc21
InChIInChI=1S/C12H15F2NO3S/c1-19(16,17)15-11-4-2-3-8-7-9(18-12(13)14)5-6-10(8)11/h5-7,11-12,15H,2-4H2,1H3/t11-/m0/s1
InChIKeyLQPDWVXVZSEAJF-NSHDSACASA-N
MW291.32 g/mol
LogP2.21
Rot. Bonds4

About N-[(1S)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]methanesulfonamide

N-[(1S)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]methanesulfonamide (PubChem CID 94826773) has the molecular formula C12H15F2NO3S and a molecular weight of 291.32 g/mol. Its IUPAC name is N-[(1S)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(1S)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]methanesulfonamide
PubChem CID94826773
Molecular FormulaC12H15F2NO3S
Molecular Weight291.32 g/mol
Exact Mass291.07
IUPAC NameN-[(1S)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]methanesulfonamide
SMILESCS(=O)(=O)N[C@H]1CCCc2cc(OC(F)F)ccc21
InChIInChI=1S/C12H15F2NO3S/c1-19(16,17)15-11-4-2-3-8-7-9(18-12(13)14)5-6-10(8)11/h5-7,11-12,15H,2-4H2,1H3/t11-/m0/s1
InChIKeyLQPDWVXVZSEAJF-NSHDSACASA-N
XLogP2.21
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methanesulfonamide
CID 78319340
4-[[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfamoyl]benzamide
CID 86870489
1-[[2-cyanoethyl(methyl)sulfamoyl]amino]-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalene
CID 86870488
N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]pentanamide
CID 60605486
N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide
CID 119310217
N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 56800355
N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanesulfonamide
CID 4650012
(2R)-2-[[(1R)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-phenylacetamide
CID 94808904
1-amino-N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]cyclohexane-1-carboxamide;hydrochloride
CID 119310236
1-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-(4-hydroxy-3-methylbutan-2-yl)urea
CID 111454981
2-amino-N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]pentanamide;hydrochloride
CID 119310232
2-amino-N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(4-methylphenyl)acetamide
CID 120668049

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]methanesulfonamide?
The IUPAC name of N-[(1S)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]methanesulfonamide (CID 94826773) is N-[(1S)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]methanesulfonamide.
What is the SMILES notation for N-[(1S)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]methanesulfonamide?
The canonical SMILES for N-[(1S)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]methanesulfonamide is CS(=O)(=O)N[C@H]1CCCc2cc(OC(F)F)ccc21.
What is the InChIKey of N-[(1S)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]methanesulfonamide?
The InChIKey is LQPDWVXVZSEAJF-NSHDSACASA-N. The full InChI is InChI=1S/C12H15F2NO3S/c1-19(16,17)15-11-4-2-3-8-7-9(18-12(13)14)5-6-10(8)11/h5-7,11-12,15H,2-4H2,1H3/t11-/m0/s1.
What are the key properties of N-[(1S)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]methanesulfonamide?
N-[(1S)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]methanesulfonamide has a molecular weight of 291.32 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]methanesulfonamide is sourced from PubChem (CID 94826773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).