(2S)-N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]-1,1,1-trifluoropropane-2-sulfonamide

C12H15ClF3NO3S — CID 97306334

IUPAC(2S)-N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]-1,1,1-trifluoropropane-2-sulfonamide
SMILESCO[C@H](CNS(=O)(=O)[C@@H](C)C(F)(F)F)c1ccccc1Cl
InChIInChI=1S/C12H15ClF3NO3S/c1-8(12(14,15)16)21(18,19)17-7-11(20-2)9-5-3-4-6-10(9)13/h3-6,8,11,17H,7H2,1-2H3/t8-,11+/m0/s1
InChIKeyGWZPLGVXSVNCAB-GZMMTYOYSA-N
MW345.77 g/mol
LogP2.90
Rot. Bonds6

About (2S)-N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]-1,1,1-trifluoropropane-2-sulfonamide

(2S)-N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]-1,1,1-trifluoropropane-2-sulfonamide (PubChem CID 97306334) has the molecular formula C12H15ClF3NO3S and a molecular weight of 345.77 g/mol. Its IUPAC name is (2S)-N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]-1,1,1-trifluoropropane-2-sulfonamide.

Molecular Properties

Compound Name(2S)-N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]-1,1,1-trifluoropropane-2-sulfonamide
PubChem CID97306334
Molecular FormulaC12H15ClF3NO3S
Molecular Weight345.77 g/mol
Exact Mass345.04
IUPAC Name(2S)-N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]-1,1,1-trifluoropropane-2-sulfonamide
SMILESCO[C@H](CNS(=O)(=O)[C@@H](C)C(F)(F)F)c1ccccc1Cl
InChIInChI=1S/C12H15ClF3NO3S/c1-8(12(14,15)16)21(18,19)17-7-11(20-2)9-5-3-4-6-10(9)13/h3-6,8,11,17H,7H2,1-2H3/t8-,11+/m0/s1
InChIKeyGWZPLGVXSVNCAB-GZMMTYOYSA-N
XLogP2.90
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.77
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]thiophene-2-sulfonamide
CID 99698254
N-[2-(2-chlorophenyl)-2-methoxyethyl]propan-2-amine
CID 62107818
N-[2-(2-chlorophenyl)-2-methoxyethyl]-4,4,4-trifluorobutanamide
CID 90623820
N-[2-(2-chlorophenyl)-2-methoxyethyl]-4-nitrobenzenesulfonamide
CID 90623875
N-[2-(2-chlorophenyl)-2-methoxyethyl]-3,4-dimethoxybenzenesulfonamide
CID 90623899
N-[2-(2-chlorophenyl)-2-methoxyethyl]propanamide
CID 90623661
methyl N-[4-[[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]sulfamoyl]phenyl]carbamate
CID 99876233
N-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]-4-(trifluoromethoxy)benzamide
CID 99876145
3-chloro-N-[2-methoxy-2-(2-methylphenyl)ethyl]-2-methylbenzenesulfonamide
CID 71810536
N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]-N'-[4-(trifluoromethoxy)phenyl]oxamide
CID 99876254
1-[2-(2-chlorophenyl)-2-methoxyethyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 90624044
N-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]-N'-[4-(trifluoromethoxy)phenyl]oxamide
CID 99876253

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]-1,1,1-trifluoropropane-2-sulfonamide?
The IUPAC name of (2S)-N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]-1,1,1-trifluoropropane-2-sulfonamide (CID 97306334) is (2S)-N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]-1,1,1-trifluoropropane-2-sulfonamide.
What is the SMILES notation for (2S)-N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]-1,1,1-trifluoropropane-2-sulfonamide?
The canonical SMILES for (2S)-N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]-1,1,1-trifluoropropane-2-sulfonamide is CO[C@H](CNS(=O)(=O)[C@@H](C)C(F)(F)F)c1ccccc1Cl.
What is the InChIKey of (2S)-N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]-1,1,1-trifluoropropane-2-sulfonamide?
The InChIKey is GWZPLGVXSVNCAB-GZMMTYOYSA-N. The full InChI is InChI=1S/C12H15ClF3NO3S/c1-8(12(14,15)16)21(18,19)17-7-11(20-2)9-5-3-4-6-10(9)13/h3-6,8,11,17H,7H2,1-2H3/t8-,11+/m0/s1.
What are the key properties of (2S)-N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]-1,1,1-trifluoropropane-2-sulfonamide?
(2S)-N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]-1,1,1-trifluoropropane-2-sulfonamide has a molecular weight of 345.77 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]-1,1,1-trifluoropropane-2-sulfonamide is sourced from PubChem (CID 97306334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).