5-aminocyclohepta-1,4,6-triene-1-sulfonamide

C7H10N2O2S — CID 143368062

IUPAC5-aminocyclohepta-1,4,6-triene-1-sulfonamide
SMILESNC1=CCC=C(S(N)(=O)=O)C=C1
InChIInChI=1S/C7H10N2O2S/c8-6-2-1-3-7(5-4-6)12(9,10)11/h2-5H,1,8H2,(H2,9,10,11)
InChIKeyNLYFADGINFJYAU-UHFFFAOYSA-N
MW186.24 g/mol
LogP-0.04
Rot. Bonds1

About 5-aminocyclohepta-1,4,6-triene-1-sulfonamide

5-aminocyclohepta-1,4,6-triene-1-sulfonamide (PubChem CID 143368062) has the molecular formula C7H10N2O2S and a molecular weight of 186.24 g/mol. Its IUPAC name is 5-aminocyclohepta-1,4,6-triene-1-sulfonamide.

Molecular Properties

Compound Name5-aminocyclohepta-1,4,6-triene-1-sulfonamide
PubChem CID143368062
Molecular FormulaC7H10N2O2S
Molecular Weight186.24 g/mol
Exact Mass186.05
IUPAC Name5-aminocyclohepta-1,4,6-triene-1-sulfonamide
SMILESNC1=CCC=C(S(N)(=O)=O)C=C1
InChIInChI=1S/C7H10N2O2S/c8-6-2-1-3-7(5-4-6)12(9,10)11/h2-5H,1,8H2,(H2,9,10,11)
InChIKeyNLYFADGINFJYAU-UHFFFAOYSA-N
XLogP-0.04
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-aminocyclohepta-1,4,6-triene-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

p-Aminosulfanilamide
CID 129781670
1,4-Diaminocyclohexa-2,4-diene-1-sulfonyl fluoride
CID 88828278
Dihydro-sulphanilamide
CID 154559466
N-cyclopenta-1,4-dien-1-ylmethanesulfonamide
CID 58571276
1,4-Diaminocyclohexa-2,4-diene-1-sulfonic acid
CID 88382028
1,3-Diaminocyclohexa-2,4-diene-1-sulfonic acid
CID 88798892
(3E,5E)-6-aminohepta-3,5-diene-3-sulfonamide
CID 89034894
N-[(2E,4Z)-hepta-2,4-dien-3-yl]methanesulfonamide
CID 118029939
4,5-Diaminocyclohexa-2,4-diene-1-sulfonamide
CID 134424015
1-Aminocyclohexa-2,4-diene-1-sulfonamide
CID 142689457
5-Methylsulfonylcyclohepta-1,4,6-trien-1-amine
CID 143258649
4-Amino-1-methylcyclohepta-2,4,6-triene-1-sulfonic acid
CID 144166235

Frequently Asked Questions

What is the IUPAC name of 5-aminocyclohepta-1,4,6-triene-1-sulfonamide?
The IUPAC name of 5-aminocyclohepta-1,4,6-triene-1-sulfonamide (CID 143368062) is 5-aminocyclohepta-1,4,6-triene-1-sulfonamide.
What is the SMILES notation for 5-aminocyclohepta-1,4,6-triene-1-sulfonamide?
The canonical SMILES for 5-aminocyclohepta-1,4,6-triene-1-sulfonamide is NC1=CCC=C(S(N)(=O)=O)C=C1.
What is the InChIKey of 5-aminocyclohepta-1,4,6-triene-1-sulfonamide?
The InChIKey is NLYFADGINFJYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S/c8-6-2-1-3-7(5-4-6)12(9,10)11/h2-5H,1,8H2,(H2,9,10,11).
What are the key properties of 5-aminocyclohepta-1,4,6-triene-1-sulfonamide?
5-aminocyclohepta-1,4,6-triene-1-sulfonamide has a molecular weight of 186.24 g/mol, XLogP of -0.04, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-aminocyclohepta-1,4,6-triene-1-sulfonamide is sourced from PubChem (CID 143368062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).