4-aminocyclohexa-2,4-diene-1-sulfonamide

C6H10N2O2S — CID 154559466

IUPAC4-aminocyclohexa-2,4-diene-1-sulfonamide
SMILESNC1=CCC(S(N)(=O)=O)C=C1
InChIInChI=1S/C6H10N2O2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-3,6H,4,7H2,(H2,8,9,10)
InChIKeyXHUONMAJPFSGDN-UHFFFAOYSA-N
MW174.23 g/mol
LogP-0.55
Rot. Bonds1

About 4-aminocyclohexa-2,4-diene-1-sulfonamide

4-aminocyclohexa-2,4-diene-1-sulfonamide (PubChem CID 154559466) has the molecular formula C6H10N2O2S and a molecular weight of 174.23 g/mol. Its IUPAC name is 4-aminocyclohexa-2,4-diene-1-sulfonamide.

Molecular Properties

Compound Name4-aminocyclohexa-2,4-diene-1-sulfonamide
PubChem CID154559466
Molecular FormulaC6H10N2O2S
Molecular Weight174.23 g/mol
Exact Mass174.05
IUPAC Name4-aminocyclohexa-2,4-diene-1-sulfonamide
SMILESNC1=CCC(S(N)(=O)=O)C=C1
InChIInChI=1S/C6H10N2O2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-3,6H,4,7H2,(H2,8,9,10)
InChIKeyXHUONMAJPFSGDN-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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Related Compounds

4-Sulfonylaniline
CID 20432622
p-Aminosulfanilamide
CID 129781670
Natrium-2,4-diaminobenzol-4-sulphonat
CID 129890110
1,4-Diaminocyclohexa-2,4-diene-1-sulfonyl fluoride
CID 88828278
4,6-Diaminocyclohexa-2,4-diene-1-sulfonic acid
CID 18972259
N-cyclohexa-1,5-dien-1-ylmethanesulfonamide
CID 22066340
3-Sulfonylcyclohexa-1,5-dien-1-amine
CID 22068796
N-cyclohexa-1,5-dien-1-ylethanesulfonamide
CID 22261328
3-Amino-6-methylcyclohexa-2,4-diene-1-sulfonamide
CID 58128730
(1R)-4-hydrazinylcyclohexa-2,4-diene-1-sulfonamide
CID 67559889
6-Amino-6-methylcyclohexa-2,4-diene-1-sulfonamide
CID 67813010
4-Aminocyclohexa-2,4-diene-1-sulfonic acid
CID 88306202

Frequently Asked Questions

What is the IUPAC name of 4-aminocyclohexa-2,4-diene-1-sulfonamide?
The IUPAC name of 4-aminocyclohexa-2,4-diene-1-sulfonamide (CID 154559466) is 4-aminocyclohexa-2,4-diene-1-sulfonamide.
What is the SMILES notation for 4-aminocyclohexa-2,4-diene-1-sulfonamide?
The canonical SMILES for 4-aminocyclohexa-2,4-diene-1-sulfonamide is NC1=CCC(S(N)(=O)=O)C=C1.
What is the InChIKey of 4-aminocyclohexa-2,4-diene-1-sulfonamide?
The InChIKey is XHUONMAJPFSGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-3,6H,4,7H2,(H2,8,9,10).
What are the key properties of 4-aminocyclohexa-2,4-diene-1-sulfonamide?
4-aminocyclohexa-2,4-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-2,4-diene-1-sulfonamide is sourced from PubChem (CID 154559466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).