1,6-diaminocyclohexa-2,4-diene-1-sulfonamide

C6H11N3O2S — CID 70634146

IUPAC1,6-diaminocyclohexa-2,4-diene-1-sulfonamide
SMILESNC1C=CC=CC1(N)S(N)(=O)=O
InChIInChI=1S/C6H11N3O2S/c7-5-3-1-2-4-6(5,8)12(9,10)11/h1-5H,7-8H2,(H2,9,10,11)
InChIKeyUBUZHQHQFLSCQT-UHFFFAOYSA-N
MW189.24 g/mol
LogP-1.62
Rot. Bonds1

About 1,6-diaminocyclohexa-2,4-diene-1-sulfonamide

1,6-diaminocyclohexa-2,4-diene-1-sulfonamide (PubChem CID 70634146) has the molecular formula C6H11N3O2S and a molecular weight of 189.24 g/mol. Its IUPAC name is 1,6-diaminocyclohexa-2,4-diene-1-sulfonamide.

Molecular Properties

Compound Name1,6-diaminocyclohexa-2,4-diene-1-sulfonamide
PubChem CID70634146
Molecular FormulaC6H11N3O2S
Molecular Weight189.24 g/mol
Exact Mass189.06
IUPAC Name1,6-diaminocyclohexa-2,4-diene-1-sulfonamide
SMILESNC1C=CC=CC1(N)S(N)(=O)=O
InChIInChI=1S/C6H11N3O2S/c7-5-3-1-2-4-6(5,8)12(9,10)11/h1-5H,7-8H2,(H2,9,10,11)
InChIKeyUBUZHQHQFLSCQT-UHFFFAOYSA-N
XLogP-1.62
TPSA112.20 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.24
LogP ≤ 5-1.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,6-diaminocyclohexa-2,4-diene-1-sulfonamide?
The IUPAC name of 1,6-diaminocyclohexa-2,4-diene-1-sulfonamide (CID 70634146) is 1,6-diaminocyclohexa-2,4-diene-1-sulfonamide.
What is the SMILES notation for 1,6-diaminocyclohexa-2,4-diene-1-sulfonamide?
The canonical SMILES for 1,6-diaminocyclohexa-2,4-diene-1-sulfonamide is NC1C=CC=CC1(N)S(N)(=O)=O.
What is the InChIKey of 1,6-diaminocyclohexa-2,4-diene-1-sulfonamide?
The InChIKey is UBUZHQHQFLSCQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O2S/c7-5-3-1-2-4-6(5,8)12(9,10)11/h1-5H,7-8H2,(H2,9,10,11).
What are the key properties of 1,6-diaminocyclohexa-2,4-diene-1-sulfonamide?
1,6-diaminocyclohexa-2,4-diene-1-sulfonamide has a molecular weight of 189.24 g/mol, XLogP of -1.62, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-diaminocyclohexa-2,4-diene-1-sulfonamide is sourced from PubChem (CID 70634146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).