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

C6H10N2O2S — CID 142689457

IUPAC1-aminocyclohexa-2,4-diene-1-sulfonamide
SMILESNC1(S(N)(=O)=O)C=CC=CC1
InChIInChI=1S/C6H10N2O2S/c7-6(11(8,9)10)4-2-1-3-5-6/h1-4H,5,7H2,(H2,8,9,10)
InChIKeyPQWVFANWIMLZPD-UHFFFAOYSA-N
MW174.23 g/mol
LogP-0.55
Rot. Bonds1

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

1-aminocyclohexa-2,4-diene-1-sulfonamide (PubChem CID 142689457) has the molecular formula C6H10N2O2S and a molecular weight of 174.23 g/mol. Its IUPAC name is 1-aminocyclohexa-2,4-diene-1-sulfonamide.

Molecular Properties

Compound Name1-aminocyclohexa-2,4-diene-1-sulfonamide
PubChem CID142689457
Molecular FormulaC6H10N2O2S
Molecular Weight174.23 g/mol
Exact Mass174.05
IUPAC Name1-aminocyclohexa-2,4-diene-1-sulfonamide
SMILESNC1(S(N)(=O)=O)C=CC=CC1
InChIInChI=1S/C6H10N2O2S/c7-6(11(8,9)10)4-2-1-3-5-6/h1-4H,5,7H2,(H2,8,9,10)
InChIKeyPQWVFANWIMLZPD-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-Amino-sulfanilic acid
CID 22761576
p-Aminosulfanilamide
CID 129781670
Natrium-2,4-diaminobenzol-4-sulphonat
CID 129890110
1,4-Diaminocyclohexa-2,4-diene-1-sulfonyl fluoride
CID 88828278
Dihydro-sulphanilamide
CID 154559466
1-Amino-4-methylcyclohexa-2,4-diene-1-sulfonic acid
CID 18767452
1-Aminocyclohexa-2,4-diene-1-sulfonic acid
CID 21667404
6-Amino-6-methylcyclohexa-2,4-diene-1-sulfonamide
CID 67813010
1-Amino-6-methylcyclohexa-2,4-diene-1-sulfonamide
CID 69408021
1,6-Diaminocyclohexa-2,4-diene-1-sulfonamide
CID 70634146
1,2-Diaminocyclohexa-3,5-diene-1,2-disulfonic acid
CID 88037514
1,4-Diaminocyclohexa-2,4-diene-1-sulfonic acid
CID 88382028

Frequently Asked Questions

What is the IUPAC name of 1-aminocyclohexa-2,4-diene-1-sulfonamide?
The IUPAC name of 1-aminocyclohexa-2,4-diene-1-sulfonamide (CID 142689457) is 1-aminocyclohexa-2,4-diene-1-sulfonamide.
What is the SMILES notation for 1-aminocyclohexa-2,4-diene-1-sulfonamide?
The canonical SMILES for 1-aminocyclohexa-2,4-diene-1-sulfonamide is NC1(S(N)(=O)=O)C=CC=CC1.
What is the InChIKey of 1-aminocyclohexa-2,4-diene-1-sulfonamide?
The InChIKey is PQWVFANWIMLZPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2S/c7-6(11(8,9)10)4-2-1-3-5-6/h1-4H,5,7H2,(H2,8,9,10).
What are the key properties of 1-aminocyclohexa-2,4-diene-1-sulfonamide?
1-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 1-aminocyclohexa-2,4-diene-1-sulfonamide is sourced from PubChem (CID 142689457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).