4-chloro-N-[(2S)-1-methoxypropan-2-yl]-3-(trifluoromethyl)benzenesulfonamide

C11H13ClF3NO3S — CID 7510324

IUPAC4-chloro-N-[(2S)-1-methoxypropan-2-yl]-3-(trifluoromethyl)benzenesulfonamide
SMILESCOC[C@H](C)NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C11H13ClF3NO3S/c1-7(6-19-2)16-20(17,18)8-3-4-10(12)9(5-8)11(13,14)15/h3-5,7,16H,6H2,1-2H3/t7-/m0/s1
InChIKeyFVTYCYGSOQUUFF-ZETCQYMHSA-N
MW331.74 g/mol
LogP2.67
Rot. Bonds5

About 4-chloro-N-[(2S)-1-methoxypropan-2-yl]-3-(trifluoromethyl)benzenesulfonamide

4-chloro-N-[(2S)-1-methoxypropan-2-yl]-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 7510324) has the molecular formula C11H13ClF3NO3S and a molecular weight of 331.74 g/mol. Its IUPAC name is 4-chloro-N-[(2S)-1-methoxypropan-2-yl]-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[(2S)-1-methoxypropan-2-yl]-3-(trifluoromethyl)benzenesulfonamide
PubChem CID7510324
Molecular FormulaC11H13ClF3NO3S
Molecular Weight331.74 g/mol
Exact Mass331.03
IUPAC Name4-chloro-N-[(2S)-1-methoxypropan-2-yl]-3-(trifluoromethyl)benzenesulfonamide
SMILESCOC[C@H](C)NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C11H13ClF3NO3S/c1-7(6-19-2)16-20(17,18)8-3-4-10(12)9(5-8)11(13,14)15/h3-5,7,16H,6H2,1-2H3/t7-/m0/s1
InChIKeyFVTYCYGSOQUUFF-ZETCQYMHSA-N
XLogP2.67
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.74
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(2S)-1-methoxypropan-2-yl]-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-[(2S)-1-methoxypropan-2-yl]-3-(trifluoromethyl)benzenesulfonamide (CID 7510324) is 4-chloro-N-[(2S)-1-methoxypropan-2-yl]-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[(2S)-1-methoxypropan-2-yl]-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[(2S)-1-methoxypropan-2-yl]-3-(trifluoromethyl)benzenesulfonamide is COC[C@H](C)NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 4-chloro-N-[(2S)-1-methoxypropan-2-yl]-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is FVTYCYGSOQUUFF-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H13ClF3NO3S/c1-7(6-19-2)16-20(17,18)8-3-4-10(12)9(5-8)11(13,14)15/h3-5,7,16H,6H2,1-2H3/t7-/m0/s1.
What are the key properties of 4-chloro-N-[(2S)-1-methoxypropan-2-yl]-3-(trifluoromethyl)benzenesulfonamide?
4-chloro-N-[(2S)-1-methoxypropan-2-yl]-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 331.74 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(2S)-1-methoxypropan-2-yl]-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 7510324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).