N-[2-[4-(difluoromethoxy)phenyl]ethyl]naphthalene-2-sulfonamide

C19H17F2NO3S — CID 8815415

IUPACN-[2-[4-(difluoromethoxy)phenyl]ethyl]naphthalene-2-sulfonamide
SMILESO=S(=O)(NCCc1ccc(OC(F)F)cc1)c1ccc2ccccc2c1
InChIInChI=1S/C19H17F2NO3S/c20-19(21)25-17-8-5-14(6-9-17)11-12-22-26(23,24)18-10-7-15-3-1-2-4-16(15)13-18/h1-10,13,19,22H,11-12H2
InChIKeyLGICJFQTRLZPTC-UHFFFAOYSA-N
MW377.41 g/mol
LogP3.96
Rot. Bonds7

About N-[2-[4-(difluoromethoxy)phenyl]ethyl]naphthalene-2-sulfonamide

N-[2-[4-(difluoromethoxy)phenyl]ethyl]naphthalene-2-sulfonamide (PubChem CID 8815415) has the molecular formula C19H17F2NO3S and a molecular weight of 377.41 g/mol. Its IUPAC name is N-[2-[4-(difluoromethoxy)phenyl]ethyl]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-[4-(difluoromethoxy)phenyl]ethyl]naphthalene-2-sulfonamide
PubChem CID8815415
Molecular FormulaC19H17F2NO3S
Molecular Weight377.41 g/mol
Exact Mass377.09
IUPAC NameN-[2-[4-(difluoromethoxy)phenyl]ethyl]naphthalene-2-sulfonamide
SMILESO=S(=O)(NCCc1ccc(OC(F)F)cc1)c1ccc2ccccc2c1
InChIInChI=1S/C19H17F2NO3S/c20-19(21)25-17-8-5-14(6-9-17)11-12-22-26(23,24)18-10-7-15-3-1-2-4-16(15)13-18/h1-10,13,19,22H,11-12H2
InChIKeyLGICJFQTRLZPTC-UHFFFAOYSA-N
XLogP3.96
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.41
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyano-N-[2-[4-(difluoromethoxy)phenyl]ethyl]benzenesulfonamide
CID 8815523
N-[2-(naphthalen-2-ylsulfonylamino)ethyl]naphthalene-2-sulfonamide
CID 30170513
N-[2-(4-methoxyphenyl)ethyl]-4-propan-2-yloxybenzenesulfonamide
CID 110755601
N-(2-bromoethyl)naphthalene-2-sulfonamide
CID 4737381
2-naphthalen-2-yloxy-N-[4-(2-phenylethylsulfamoyl)phenyl]acetamide
CID 5169529
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-[(4-fluorophenyl)sulfonylamino]butanamide
CID 55408656
N-[3-(methylamino)propyl]naphthalene-2-sulfonamide;hydrochloride
CID 119964824
4-[2-[[7-(quinolin-2-ylmethoxy)naphthalen-2-yl]sulfonylamino]ethyl]benzoic acid
CID 10075131
N-(3,3-difluoro-2-hydroxypropyl)naphthalene-2-sulfonamide
CID 103836737
N-[3-[2-[4-(difluoromethoxy)phenyl]ethylsulfamoyl]-4-methylphenyl]acetamide
CID 78808557
N-[3-(ethylsulfonylamino)propyl]naphthalene-2-sulfonamide
CID 49459732
4-bromo-N-[[4-(difluoromethoxy)phenyl]methyl]benzenesulfonamide
CID 29350986

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(difluoromethoxy)phenyl]ethyl]naphthalene-2-sulfonamide?
The IUPAC name of N-[2-[4-(difluoromethoxy)phenyl]ethyl]naphthalene-2-sulfonamide (CID 8815415) is N-[2-[4-(difluoromethoxy)phenyl]ethyl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-[2-[4-(difluoromethoxy)phenyl]ethyl]naphthalene-2-sulfonamide?
The canonical SMILES for N-[2-[4-(difluoromethoxy)phenyl]ethyl]naphthalene-2-sulfonamide is O=S(=O)(NCCc1ccc(OC(F)F)cc1)c1ccc2ccccc2c1.
What is the InChIKey of N-[2-[4-(difluoromethoxy)phenyl]ethyl]naphthalene-2-sulfonamide?
The InChIKey is LGICJFQTRLZPTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2NO3S/c20-19(21)25-17-8-5-14(6-9-17)11-12-22-26(23,24)18-10-7-15-3-1-2-4-16(15)13-18/h1-10,13,19,22H,11-12H2.
What are the key properties of N-[2-[4-(difluoromethoxy)phenyl]ethyl]naphthalene-2-sulfonamide?
N-[2-[4-(difluoromethoxy)phenyl]ethyl]naphthalene-2-sulfonamide has a molecular weight of 377.41 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(difluoromethoxy)phenyl]ethyl]naphthalene-2-sulfonamide is sourced from PubChem (CID 8815415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).