(2S)-N-hydroxy-2-[[2-[3-(trifluoromethyl)phenyl]naphthalen-1-yl]sulfamoyl]propanamide

C20H17F3N2O4S — CID 141328826

IUPAC(2S)-N-hydroxy-2-[[2-[3-(trifluoromethyl)phenyl]naphthalen-1-yl]sulfamoyl]propanamide
SMILESC[C@@H](C(=O)NO)S(=O)(=O)Nc1c(-c2cccc(C(F)(F)F)c2)ccc2ccccc12
InChIInChI=1S/C20H17F3N2O4S/c1-12(19(26)24-27)30(28,29)25-18-16-8-3-2-5-13(16)9-10-17(18)14-6-4-7-15(11-14)20(21,22)23/h2-12,25,27H,1H3,(H,24,26)/t12-/m0/s1
InChIKeyLZZXKIJCLGERQW-LBPRGKRZSA-N
MW438.43 g/mol
LogP4.16
Rot. Bonds5

About (2S)-N-hydroxy-2-[[2-[3-(trifluoromethyl)phenyl]naphthalen-1-yl]sulfamoyl]propanamide

(2S)-N-hydroxy-2-[[2-[3-(trifluoromethyl)phenyl]naphthalen-1-yl]sulfamoyl]propanamide (PubChem CID 141328826) has the molecular formula C20H17F3N2O4S and a molecular weight of 438.43 g/mol. Its IUPAC name is (2S)-N-hydroxy-2-[[2-[3-(trifluoromethyl)phenyl]naphthalen-1-yl]sulfamoyl]propanamide.

Molecular Properties

Compound Name(2S)-N-hydroxy-2-[[2-[3-(trifluoromethyl)phenyl]naphthalen-1-yl]sulfamoyl]propanamide
PubChem CID141328826
Molecular FormulaC20H17F3N2O4S
Molecular Weight438.43 g/mol
Exact Mass438.09
IUPAC Name(2S)-N-hydroxy-2-[[2-[3-(trifluoromethyl)phenyl]naphthalen-1-yl]sulfamoyl]propanamide
SMILESC[C@@H](C(=O)NO)S(=O)(=O)Nc1c(-c2cccc(C(F)(F)F)c2)ccc2ccccc12
InChIInChI=1S/C20H17F3N2O4S/c1-12(19(26)24-27)30(28,29)25-18-16-8-3-2-5-13(16)9-10-17(18)14-6-4-7-15(11-14)20(21,22)23/h2-12,25,27H,1H3,(H,24,26)/t12-/m0/s1
InChIKeyLZZXKIJCLGERQW-LBPRGKRZSA-N
XLogP4.16
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.43
LogP ≤ 54.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[3-(trifluoromethyl)phenyl]naphthalene-1-carbaldehyde
CID 175968223
2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-(2-phenylethyl)propanamide
CID 132664482
(2S)-N-methyl-2-[[3-(trifluoromethyl)phenyl]methylsulfonyl]propanamide
CID 94087753
methyl 2-[3-(trifluoromethyl)phenyl]benzoate
CID 1393351
2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-(2-phenylsulfanylethyl)propanamide
CID 132673780
N-[3-(trifluoromethyl)phenyl]naphthalene-1-sulfonamide
CID 3814100
2-[3,6-bis[3-(trifluoromethyl)phenyl]-2-pyridinyl]acetic acid
CID 134623875
2-(4-methyl-N-methylsulfonylanilino)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 133160439
N-(2-tert-butylsulfanylethyl)-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]propanamide
CID 132667893
N-[2-(N-methylanilino)ethyl]-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]propanamide
CID 132672841
2-iodo-N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]propanamide
CID 24854936
(Z,2E)-2-[2-[2-[3-(trifluoromethyl)phenyl]benzo[e]indol-3-yl]ethylidene]pent-3-enoic acid
CID 143214516

Frequently Asked Questions

What is the IUPAC name of (2S)-N-hydroxy-2-[[2-[3-(trifluoromethyl)phenyl]naphthalen-1-yl]sulfamoyl]propanamide?
The IUPAC name of (2S)-N-hydroxy-2-[[2-[3-(trifluoromethyl)phenyl]naphthalen-1-yl]sulfamoyl]propanamide (CID 141328826) is (2S)-N-hydroxy-2-[[2-[3-(trifluoromethyl)phenyl]naphthalen-1-yl]sulfamoyl]propanamide.
What is the SMILES notation for (2S)-N-hydroxy-2-[[2-[3-(trifluoromethyl)phenyl]naphthalen-1-yl]sulfamoyl]propanamide?
The canonical SMILES for (2S)-N-hydroxy-2-[[2-[3-(trifluoromethyl)phenyl]naphthalen-1-yl]sulfamoyl]propanamide is C[C@@H](C(=O)NO)S(=O)(=O)Nc1c(-c2cccc(C(F)(F)F)c2)ccc2ccccc12.
What is the InChIKey of (2S)-N-hydroxy-2-[[2-[3-(trifluoromethyl)phenyl]naphthalen-1-yl]sulfamoyl]propanamide?
The InChIKey is LZZXKIJCLGERQW-LBPRGKRZSA-N. The full InChI is InChI=1S/C20H17F3N2O4S/c1-12(19(26)24-27)30(28,29)25-18-16-8-3-2-5-13(16)9-10-17(18)14-6-4-7-15(11-14)20(21,22)23/h2-12,25,27H,1H3,(H,24,26)/t12-/m0/s1.
What are the key properties of (2S)-N-hydroxy-2-[[2-[3-(trifluoromethyl)phenyl]naphthalen-1-yl]sulfamoyl]propanamide?
(2S)-N-hydroxy-2-[[2-[3-(trifluoromethyl)phenyl]naphthalen-1-yl]sulfamoyl]propanamide has a molecular weight of 438.43 g/mol, XLogP of 4.16, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-hydroxy-2-[[2-[3-(trifluoromethyl)phenyl]naphthalen-1-yl]sulfamoyl]propanamide is sourced from PubChem (CID 141328826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).