(NZ)-N-(6-methylidenecyclohexa-2,4-dien-1-ylidene)but-3-ene-1-sulfonamide

C11H13NO2S — CID 177482483

IUPAC(NZ)-N-(6-methylidenecyclohexa-2,4-dien-1-ylidene)but-3-ene-1-sulfonamide
SMILESC=CCCS(=O)(=O)/N=C1/C=CC=CC1=C
InChIInChI=1S/C11H13NO2S/c1-3-4-9-15(13,14)12-11-8-6-5-7-10(11)2/h3,5-8H,1-2,4,9H2/b12-11-
InChIKeyNCHSCNLLYIZAPE-QXMHVHEDSA-N
MW223.30 g/mol
LogP2.02
Rot. Bonds4

About (NZ)-N-(6-methylidenecyclohexa-2,4-dien-1-ylidene)but-3-ene-1-sulfonamide

(NZ)-N-(6-methylidenecyclohexa-2,4-dien-1-ylidene)but-3-ene-1-sulfonamide (PubChem CID 177482483) has the molecular formula C11H13NO2S and a molecular weight of 223.30 g/mol. Its IUPAC name is (NZ)-N-(6-methylidenecyclohexa-2,4-dien-1-ylidene)but-3-ene-1-sulfonamide.

Molecular Properties

Compound Name(NZ)-N-(6-methylidenecyclohexa-2,4-dien-1-ylidene)but-3-ene-1-sulfonamide
PubChem CID177482483
Molecular FormulaC11H13NO2S
Molecular Weight223.30 g/mol
Exact Mass223.07
IUPAC Name(NZ)-N-(6-methylidenecyclohexa-2,4-dien-1-ylidene)but-3-ene-1-sulfonamide
SMILESC=CCCS(=O)(=O)/N=C1/C=CC=CC1=C
InChIInChI=1S/C11H13NO2S/c1-3-4-9-15(13,14)12-11-8-6-5-7-10(11)2/h3,5-8H,1-2,4,9H2/b12-11-
InChIKeyNCHSCNLLYIZAPE-QXMHVHEDSA-N
XLogP2.02
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (NZ)-N-(6-methylidenecyclohexa-2,4-dien-1-ylidene)but-3-ene-1-sulfonamide?
The IUPAC name of (NZ)-N-(6-methylidenecyclohexa-2,4-dien-1-ylidene)but-3-ene-1-sulfonamide (CID 177482483) is (NZ)-N-(6-methylidenecyclohexa-2,4-dien-1-ylidene)but-3-ene-1-sulfonamide.
What is the SMILES notation for (NZ)-N-(6-methylidenecyclohexa-2,4-dien-1-ylidene)but-3-ene-1-sulfonamide?
The canonical SMILES for (NZ)-N-(6-methylidenecyclohexa-2,4-dien-1-ylidene)but-3-ene-1-sulfonamide is C=CCCS(=O)(=O)/N=C1/C=CC=CC1=C.
What is the InChIKey of (NZ)-N-(6-methylidenecyclohexa-2,4-dien-1-ylidene)but-3-ene-1-sulfonamide?
The InChIKey is NCHSCNLLYIZAPE-QXMHVHEDSA-N. The full InChI is InChI=1S/C11H13NO2S/c1-3-4-9-15(13,14)12-11-8-6-5-7-10(11)2/h3,5-8H,1-2,4,9H2/b12-11-.
What are the key properties of (NZ)-N-(6-methylidenecyclohexa-2,4-dien-1-ylidene)but-3-ene-1-sulfonamide?
(NZ)-N-(6-methylidenecyclohexa-2,4-dien-1-ylidene)but-3-ene-1-sulfonamide has a molecular weight of 223.30 g/mol, XLogP of 2.02, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-(6-methylidenecyclohexa-2,4-dien-1-ylidene)but-3-ene-1-sulfonamide is sourced from PubChem (CID 177482483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).