6-chloro-6-methylcyclohexa-2,4-diene-1-sulfonamide

C7H10ClNO2S — CID 67982082

IUPAC6-chloro-6-methylcyclohexa-2,4-diene-1-sulfonamide
SMILESCC1(Cl)C=CC=CC1S(N)(=O)=O
InChIInChI=1S/C7H10ClNO2S/c1-7(8)5-3-2-4-6(7)12(9,10)11/h2-6H,1H3,(H2,9,10,11)
InChIKeyRZXLYGMGXQVPAR-UHFFFAOYSA-N
MW207.68 g/mol
LogP0.77
Rot. Bonds1

About 6-chloro-6-methylcyclohexa-2,4-diene-1-sulfonamide

6-chloro-6-methylcyclohexa-2,4-diene-1-sulfonamide (PubChem CID 67982082) has the molecular formula C7H10ClNO2S and a molecular weight of 207.68 g/mol. Its IUPAC name is 6-chloro-6-methylcyclohexa-2,4-diene-1-sulfonamide.

Molecular Properties

Compound Name6-chloro-6-methylcyclohexa-2,4-diene-1-sulfonamide
PubChem CID67982082
Molecular FormulaC7H10ClNO2S
Molecular Weight207.68 g/mol
Exact Mass207.01
IUPAC Name6-chloro-6-methylcyclohexa-2,4-diene-1-sulfonamide
SMILESCC1(Cl)C=CC=CC1S(N)(=O)=O
InChIInChI=1S/C7H10ClNO2S/c1-7(8)5-3-2-4-6(7)12(9,10)11/h2-6H,1H3,(H2,9,10,11)
InChIKeyRZXLYGMGXQVPAR-UHFFFAOYSA-N
XLogP0.77
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.68
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-6-methylcyclohexa-2,4-diene-1-sulfonamide?
The IUPAC name of 6-chloro-6-methylcyclohexa-2,4-diene-1-sulfonamide (CID 67982082) is 6-chloro-6-methylcyclohexa-2,4-diene-1-sulfonamide.
What is the SMILES notation for 6-chloro-6-methylcyclohexa-2,4-diene-1-sulfonamide?
The canonical SMILES for 6-chloro-6-methylcyclohexa-2,4-diene-1-sulfonamide is CC1(Cl)C=CC=CC1S(N)(=O)=O.
What is the InChIKey of 6-chloro-6-methylcyclohexa-2,4-diene-1-sulfonamide?
The InChIKey is RZXLYGMGXQVPAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClNO2S/c1-7(8)5-3-2-4-6(7)12(9,10)11/h2-6H,1H3,(H2,9,10,11).
What are the key properties of 6-chloro-6-methylcyclohexa-2,4-diene-1-sulfonamide?
6-chloro-6-methylcyclohexa-2,4-diene-1-sulfonamide has a molecular weight of 207.68 g/mol, XLogP of 0.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-6-methylcyclohexa-2,4-diene-1-sulfonamide is sourced from PubChem (CID 67982082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).