4-chloro-N-(trifluoromethylsulfonyl)cyclohexa-1,3-diene-1-sulfonamide

C7H7ClF3NO4S2 — CID 138651340

IUPAC4-chloro-N-(trifluoromethylsulfonyl)cyclohexa-1,3-diene-1-sulfonamide
SMILESO=S(=O)(NS(=O)(=O)C(F)(F)F)C1=CC=C(Cl)CC1
InChIInChI=1S/C7H7ClF3NO4S2/c8-5-1-3-6(4-2-5)17(13,14)12-18(15,16)7(9,10)11/h1,3,12H,2,4H2
InChIKeyPHPOGDOHVYUAGG-UHFFFAOYSA-N
MW325.72 g/mol
LogP1.56
Rot. Bonds3

About 4-chloro-N-(trifluoromethylsulfonyl)cyclohexa-1,3-diene-1-sulfonamide

4-chloro-N-(trifluoromethylsulfonyl)cyclohexa-1,3-diene-1-sulfonamide (PubChem CID 138651340) has the molecular formula C7H7ClF3NO4S2 and a molecular weight of 325.72 g/mol. Its IUPAC name is 4-chloro-N-(trifluoromethylsulfonyl)cyclohexa-1,3-diene-1-sulfonamide.

Molecular Properties

Compound Name4-chloro-N-(trifluoromethylsulfonyl)cyclohexa-1,3-diene-1-sulfonamide
PubChem CID138651340
Molecular FormulaC7H7ClF3NO4S2
Molecular Weight325.72 g/mol
Exact Mass324.95
IUPAC Name4-chloro-N-(trifluoromethylsulfonyl)cyclohexa-1,3-diene-1-sulfonamide
SMILESO=S(=O)(NS(=O)(=O)C(F)(F)F)C1=CC=C(Cl)CC1
InChIInChI=1S/C7H7ClF3NO4S2/c8-5-1-3-6(4-2-5)17(13,14)12-18(15,16)7(9,10)11/h1,3,12H,2,4H2
InChIKeyPHPOGDOHVYUAGG-UHFFFAOYSA-N
XLogP1.56
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.72
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(trifluoromethylsulfonyl)cyclohexa-1,3-diene-1-sulfonamide?
The IUPAC name of 4-chloro-N-(trifluoromethylsulfonyl)cyclohexa-1,3-diene-1-sulfonamide (CID 138651340) is 4-chloro-N-(trifluoromethylsulfonyl)cyclohexa-1,3-diene-1-sulfonamide.
What is the SMILES notation for 4-chloro-N-(trifluoromethylsulfonyl)cyclohexa-1,3-diene-1-sulfonamide?
The canonical SMILES for 4-chloro-N-(trifluoromethylsulfonyl)cyclohexa-1,3-diene-1-sulfonamide is O=S(=O)(NS(=O)(=O)C(F)(F)F)C1=CC=C(Cl)CC1.
What is the InChIKey of 4-chloro-N-(trifluoromethylsulfonyl)cyclohexa-1,3-diene-1-sulfonamide?
The InChIKey is PHPOGDOHVYUAGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClF3NO4S2/c8-5-1-3-6(4-2-5)17(13,14)12-18(15,16)7(9,10)11/h1,3,12H,2,4H2.
What are the key properties of 4-chloro-N-(trifluoromethylsulfonyl)cyclohexa-1,3-diene-1-sulfonamide?
4-chloro-N-(trifluoromethylsulfonyl)cyclohexa-1,3-diene-1-sulfonamide has a molecular weight of 325.72 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(trifluoromethylsulfonyl)cyclohexa-1,3-diene-1-sulfonamide is sourced from PubChem (CID 138651340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).