N-cyclopentyl-6-(difluoromethoxy)-N-propan-2-yl-3,4-dihydronaphthalene-2-sulfonamide

C19H25F2NO3S — CID 56569328

IUPACN-cyclopentyl-6-(difluoromethoxy)-N-propan-2-yl-3,4-dihydronaphthalene-2-sulfonamide
SMILESCC(C)N(C1CCCC1)S(=O)(=O)C1=Cc2ccc(OC(F)F)cc2CC1
InChIInChI=1S/C19H25F2NO3S/c1-13(2)22(16-5-3-4-6-16)26(23,24)18-10-8-14-11-17(25-19(20)21)9-7-15(14)12-18/h7,9,11-13,16,19H,3-6,8,10H2,1-2H3
InChIKeyNUFDGMUUGLFUTC-UHFFFAOYSA-N
MW385.48 g/mol
LogP4.56
Rot. Bonds6

About N-cyclopentyl-6-(difluoromethoxy)-N-propan-2-yl-3,4-dihydronaphthalene-2-sulfonamide

N-cyclopentyl-6-(difluoromethoxy)-N-propan-2-yl-3,4-dihydronaphthalene-2-sulfonamide (PubChem CID 56569328) has the molecular formula C19H25F2NO3S and a molecular weight of 385.48 g/mol. Its IUPAC name is N-cyclopentyl-6-(difluoromethoxy)-N-propan-2-yl-3,4-dihydronaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-cyclopentyl-6-(difluoromethoxy)-N-propan-2-yl-3,4-dihydronaphthalene-2-sulfonamide
PubChem CID56569328
Molecular FormulaC19H25F2NO3S
Molecular Weight385.48 g/mol
Exact Mass385.15
IUPAC NameN-cyclopentyl-6-(difluoromethoxy)-N-propan-2-yl-3,4-dihydronaphthalene-2-sulfonamide
SMILESCC(C)N(C1CCCC1)S(=O)(=O)C1=Cc2ccc(OC(F)F)cc2CC1
InChIInChI=1S/C19H25F2NO3S/c1-13(2)22(16-5-3-4-6-16)26(23,24)18-10-8-14-11-17(25-19(20)21)9-7-15(14)12-18/h7,9,11-13,16,19H,3-6,8,10H2,1-2H3
InChIKeyNUFDGMUUGLFUTC-UHFFFAOYSA-N
XLogP4.56
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.48
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-6-(difluoromethoxy)-N-propan-2-yl-3,4-dihydronaphthalene-2-sulfonamide?
The IUPAC name of N-cyclopentyl-6-(difluoromethoxy)-N-propan-2-yl-3,4-dihydronaphthalene-2-sulfonamide (CID 56569328) is N-cyclopentyl-6-(difluoromethoxy)-N-propan-2-yl-3,4-dihydronaphthalene-2-sulfonamide.
What is the SMILES notation for N-cyclopentyl-6-(difluoromethoxy)-N-propan-2-yl-3,4-dihydronaphthalene-2-sulfonamide?
The canonical SMILES for N-cyclopentyl-6-(difluoromethoxy)-N-propan-2-yl-3,4-dihydronaphthalene-2-sulfonamide is CC(C)N(C1CCCC1)S(=O)(=O)C1=Cc2ccc(OC(F)F)cc2CC1.
What is the InChIKey of N-cyclopentyl-6-(difluoromethoxy)-N-propan-2-yl-3,4-dihydronaphthalene-2-sulfonamide?
The InChIKey is NUFDGMUUGLFUTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F2NO3S/c1-13(2)22(16-5-3-4-6-16)26(23,24)18-10-8-14-11-17(25-19(20)21)9-7-15(14)12-18/h7,9,11-13,16,19H,3-6,8,10H2,1-2H3.
What are the key properties of N-cyclopentyl-6-(difluoromethoxy)-N-propan-2-yl-3,4-dihydronaphthalene-2-sulfonamide?
N-cyclopentyl-6-(difluoromethoxy)-N-propan-2-yl-3,4-dihydronaphthalene-2-sulfonamide has a molecular weight of 385.48 g/mol, XLogP of 4.56, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-6-(difluoromethoxy)-N-propan-2-yl-3,4-dihydronaphthalene-2-sulfonamide is sourced from PubChem (CID 56569328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).