3-chloro-4-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide

C10H11ClF3NO2S — CID 118188467

IUPAC3-chloro-4-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cc1Cl
InChIInChI=1S/C10H11ClF3NO2S/c1-6-3-4-8(5-9(6)11)18(16,17)15-7(2)10(12,13)14/h3-5,7,15H,1-2H3/t7-/m0/s1
InChIKeyRPZXGGJJQVQLPG-ZETCQYMHSA-N
MW301.72 g/mol
LogP2.88
Rot. Bonds3

About 3-chloro-4-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide

3-chloro-4-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide (PubChem CID 118188467) has the molecular formula C10H11ClF3NO2S and a molecular weight of 301.72 g/mol. Its IUPAC name is 3-chloro-4-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide
PubChem CID118188467
Molecular FormulaC10H11ClF3NO2S
Molecular Weight301.72 g/mol
Exact Mass301.02
IUPAC Name3-chloro-4-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cc1Cl
InChIInChI=1S/C10H11ClF3NO2S/c1-6-3-4-8(5-9(6)11)18(16,17)15-7(2)10(12,13)14/h3-5,7,15H,1-2H3/t7-/m0/s1
InChIKeyRPZXGGJJQVQLPG-ZETCQYMHSA-N
XLogP2.88
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.72
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide?
The IUPAC name of 3-chloro-4-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide (CID 118188467) is 3-chloro-4-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide?
The canonical SMILES for 3-chloro-4-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide is Cc1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cc1Cl.
What is the InChIKey of 3-chloro-4-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide?
The InChIKey is RPZXGGJJQVQLPG-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H11ClF3NO2S/c1-6-3-4-8(5-9(6)11)18(16,17)15-7(2)10(12,13)14/h3-5,7,15H,1-2H3/t7-/m0/s1.
What are the key properties of 3-chloro-4-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide?
3-chloro-4-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide has a molecular weight of 301.72 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide is sourced from PubChem (CID 118188467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).