4-aminocyclohexa-1,5-diene-1-sulfonamide

C6H10N2O2S — CID 123701954

IUPAC4-aminocyclohexa-1,5-diene-1-sulfonamide
SMILESNC1C=CC(S(N)(=O)=O)=CC1
InChIInChI=1S/C6H10N2O2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1,3-5H,2,7H2,(H2,8,9,10)
InChIKeyFVQVWGIHHFSQES-UHFFFAOYSA-N
MW174.23 g/mol
LogP-0.55
Rot. Bonds1

About 4-aminocyclohexa-1,5-diene-1-sulfonamide

4-aminocyclohexa-1,5-diene-1-sulfonamide (PubChem CID 123701954) has the molecular formula C6H10N2O2S and a molecular weight of 174.23 g/mol. Its IUPAC name is 4-aminocyclohexa-1,5-diene-1-sulfonamide.

Molecular Properties

Compound Name4-aminocyclohexa-1,5-diene-1-sulfonamide
PubChem CID123701954
Molecular FormulaC6H10N2O2S
Molecular Weight174.23 g/mol
Exact Mass174.05
IUPAC Name4-aminocyclohexa-1,5-diene-1-sulfonamide
SMILESNC1C=CC(S(N)(=O)=O)=CC1
InChIInChI=1S/C6H10N2O2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1,3-5H,2,7H2,(H2,8,9,10)
InChIKeyFVQVWGIHHFSQES-UHFFFAOYSA-N
XLogP-0.55
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.23
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-aminocyclohexa-1,5-diene-1-sulfonamide?
The IUPAC name of 4-aminocyclohexa-1,5-diene-1-sulfonamide (CID 123701954) is 4-aminocyclohexa-1,5-diene-1-sulfonamide.
What is the SMILES notation for 4-aminocyclohexa-1,5-diene-1-sulfonamide?
The canonical SMILES for 4-aminocyclohexa-1,5-diene-1-sulfonamide is NC1C=CC(S(N)(=O)=O)=CC1.
What is the InChIKey of 4-aminocyclohexa-1,5-diene-1-sulfonamide?
The InChIKey is FVQVWGIHHFSQES-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1,3-5H,2,7H2,(H2,8,9,10).
What are the key properties of 4-aminocyclohexa-1,5-diene-1-sulfonamide?
4-aminocyclohexa-1,5-diene-1-sulfonamide has a molecular weight of 174.23 g/mol, XLogP of -0.55, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminocyclohexa-1,5-diene-1-sulfonamide is sourced from PubChem (CID 123701954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).