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

C10H11ClF3NO2S — CID 123553811

IUPAC3-chloro-4-methyl-N-(1,1,1-trifluoropropan-2-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(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
InChIKeyRPZXGGJJQVQLPG-UHFFFAOYSA-N
MW301.72 g/mol
LogP2.88
Rot. Bonds3

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

3-chloro-4-methyl-N-(1,1,1-trifluoropropan-2-yl)benzenesulfonamide (PubChem CID 123553811) has the molecular formula C10H11ClF3NO2S and a molecular weight of 301.72 g/mol. Its IUPAC name is 3-chloro-4-methyl-N-(1,1,1-trifluoropropan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-methyl-N-(1,1,1-trifluoropropan-2-yl)benzenesulfonamide
PubChem CID123553811
Molecular FormulaC10H11ClF3NO2S
Molecular Weight301.72 g/mol
Exact Mass301.02
IUPAC Name3-chloro-4-methyl-N-(1,1,1-trifluoropropan-2-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(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
InChIKeyRPZXGGJJQVQLPG-UHFFFAOYSA-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-(1,1,1-trifluoropropan-2-yl)benzenesulfonamide?
The IUPAC name of 3-chloro-4-methyl-N-(1,1,1-trifluoropropan-2-yl)benzenesulfonamide (CID 123553811) is 3-chloro-4-methyl-N-(1,1,1-trifluoropropan-2-yl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-methyl-N-(1,1,1-trifluoropropan-2-yl)benzenesulfonamide?
The canonical SMILES for 3-chloro-4-methyl-N-(1,1,1-trifluoropropan-2-yl)benzenesulfonamide is Cc1ccc(S(=O)(=O)NC(C)C(F)(F)F)cc1Cl.
What is the InChIKey of 3-chloro-4-methyl-N-(1,1,1-trifluoropropan-2-yl)benzenesulfonamide?
The InChIKey is RPZXGGJJQVQLPG-UHFFFAOYSA-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.
What are the key properties of 3-chloro-4-methyl-N-(1,1,1-trifluoropropan-2-yl)benzenesulfonamide?
3-chloro-4-methyl-N-(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-(1,1,1-trifluoropropan-2-yl)benzenesulfonamide is sourced from PubChem (CID 123553811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).