N-[[3-(trifluoromethoxy)phenyl]methyl]naphthalene-1-sulfonamide

C18H14F3NO3S — CID 3854839

IUPACN-[[3-(trifluoromethoxy)phenyl]methyl]naphthalene-1-sulfonamide
SMILESO=S(=O)(NCc1cccc(OC(F)(F)F)c1)c1cccc2ccccc12
InChIInChI=1S/C18H14F3NO3S/c19-18(20,21)25-15-8-3-5-13(11-15)12-22-26(23,24)17-10-4-7-14-6-1-2-9-16(14)17/h1-11,22H,12H2
InChIKeyQSFQHLXZLBOHKX-UHFFFAOYSA-N
MW381.38 g/mol
LogP4.22
Rot. Bonds5

About N-[[3-(trifluoromethoxy)phenyl]methyl]naphthalene-1-sulfonamide

N-[[3-(trifluoromethoxy)phenyl]methyl]naphthalene-1-sulfonamide (PubChem CID 3854839) has the molecular formula C18H14F3NO3S and a molecular weight of 381.38 g/mol. Its IUPAC name is N-[[3-(trifluoromethoxy)phenyl]methyl]naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-[[3-(trifluoromethoxy)phenyl]methyl]naphthalene-1-sulfonamide
PubChem CID3854839
Molecular FormulaC18H14F3NO3S
Molecular Weight381.38 g/mol
Exact Mass381.06
IUPAC NameN-[[3-(trifluoromethoxy)phenyl]methyl]naphthalene-1-sulfonamide
SMILESO=S(=O)(NCc1cccc(OC(F)(F)F)c1)c1cccc2ccccc12
InChIInChI=1S/C18H14F3NO3S/c19-18(20,21)25-15-8-3-5-13(11-15)12-22-26(23,24)17-10-4-7-14-6-1-2-9-16(14)17/h1-11,22H,12H2
InChIKeyQSFQHLXZLBOHKX-UHFFFAOYSA-N
XLogP4.22
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.38
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzylnaphthalene-1-sulfonamide
CID 3844256
N-(pyridin-3-ylmethyl)naphthalene-1-sulfonamide
CID 84549972
N-[(3,4-dimethoxyphenyl)methyl]naphthalene-1-sulfonamide
CID 3801586
3-chloro-4-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide
CID 3779022
N-[[3-(trifluoromethoxy)phenyl]methyl]aniline
CID 83335491
4-[(naphthalen-1-ylsulfonylamino)methyl]benzoic acid
CID 67120728
N-[(3-pyridin-2-yloxyphenyl)methyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 90596443
N-[[3-(trifluoromethoxy)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridine-5-sulfonamide
CID 158913042
N-(3,3,3-trifluoropropyl)naphthalene-1-sulfonamide
CID 115684216
2-ethyl-N-[[3-(trifluoromethoxy)phenyl]methyl]aniline
CID 107104393
2-[[3-(trifluoromethoxy)phenyl]methylamino]ethanesulfonamide
CID 107104428
N-(trifluoromethyl)naphthalene-1-sulfonamide
CID 19040009

Frequently Asked Questions

What is the IUPAC name of N-[[3-(trifluoromethoxy)phenyl]methyl]naphthalene-1-sulfonamide?
The IUPAC name of N-[[3-(trifluoromethoxy)phenyl]methyl]naphthalene-1-sulfonamide (CID 3854839) is N-[[3-(trifluoromethoxy)phenyl]methyl]naphthalene-1-sulfonamide.
What is the SMILES notation for N-[[3-(trifluoromethoxy)phenyl]methyl]naphthalene-1-sulfonamide?
The canonical SMILES for N-[[3-(trifluoromethoxy)phenyl]methyl]naphthalene-1-sulfonamide is O=S(=O)(NCc1cccc(OC(F)(F)F)c1)c1cccc2ccccc12.
What is the InChIKey of N-[[3-(trifluoromethoxy)phenyl]methyl]naphthalene-1-sulfonamide?
The InChIKey is QSFQHLXZLBOHKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3NO3S/c19-18(20,21)25-15-8-3-5-13(11-15)12-22-26(23,24)17-10-4-7-14-6-1-2-9-16(14)17/h1-11,22H,12H2.
What are the key properties of N-[[3-(trifluoromethoxy)phenyl]methyl]naphthalene-1-sulfonamide?
N-[[3-(trifluoromethoxy)phenyl]methyl]naphthalene-1-sulfonamide has a molecular weight of 381.38 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(trifluoromethoxy)phenyl]methyl]naphthalene-1-sulfonamide is sourced from PubChem (CID 3854839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).