(2E,4Z)-6-chloro-N,N,5-trimethylhepta-2,4,6-triene-3-sulfonamide

C10H16ClNO2S — CID 144809276

IUPAC(2E,4Z)-6-chloro-N,N,5-trimethylhepta-2,4,6-triene-3-sulfonamide
SMILESC=C(Cl)/C(C)=C\C(=C/C)S(=O)(=O)N(C)C
InChIInChI=1S/C10H16ClNO2S/c1-6-10(7-8(2)9(3)11)15(13,14)12(4)5/h6-7H,3H2,1-2,4-5H3/b8-7-,10-6+
InChIKeyZWKVWLCRNVYWCB-SDHBEMGISA-N
MW249.76 g/mol
LogP2.48
Rot. Bonds4

About (2E,4Z)-6-chloro-N,N,5-trimethylhepta-2,4,6-triene-3-sulfonamide

(2E,4Z)-6-chloro-N,N,5-trimethylhepta-2,4,6-triene-3-sulfonamide (PubChem CID 144809276) has the molecular formula C10H16ClNO2S and a molecular weight of 249.76 g/mol. Its IUPAC name is (2E,4Z)-6-chloro-N,N,5-trimethylhepta-2,4,6-triene-3-sulfonamide.

Molecular Properties

Compound Name(2E,4Z)-6-chloro-N,N,5-trimethylhepta-2,4,6-triene-3-sulfonamide
PubChem CID144809276
Molecular FormulaC10H16ClNO2S
Molecular Weight249.76 g/mol
Exact Mass249.06
IUPAC Name(2E,4Z)-6-chloro-N,N,5-trimethylhepta-2,4,6-triene-3-sulfonamide
SMILESC=C(Cl)/C(C)=C\C(=C/C)S(=O)(=O)N(C)C
InChIInChI=1S/C10H16ClNO2S/c1-6-10(7-8(2)9(3)11)15(13,14)12(4)5/h6-7H,3H2,1-2,4-5H3/b8-7-,10-6+
InChIKeyZWKVWLCRNVYWCB-SDHBEMGISA-N
XLogP2.48
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.76
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3Z)-2-chloro-3,5-dimethylhexa-1,3,5-triene
CID 142150750
1-chloro-1-(1-chloro-3-methylbuta-1,3-dienyl)sulfonyl-3-methylbuta-1,3-diene
CID 154431203
(5Z,6Z)-8-chloro-5-ethylidene-7-methylnona-6,8-dien-2-one
CID 156886732
4-fluoro-N,N-dimethylhexa-2,4-diene-3-sulfonamide
CID 90944446
N-[(1Z)-3-chloro-2-methylbuta-1,3-dienyl]ethanimine
CID 123892997
(3Z,5Z)-2-chloro-4,5-dimethylhepta-1,3,5-triene
CID 143318485
(3Z,5E)-2,5-dichloro-4-methylhepta-1,3,5-triene
CID 142202434
ethenyl-methylidene-oxo-[(3E)-penta-1,3-dien-3-yl]-λ6-sulfane
CID 123200149
2-(dimethylamino)but-2-enoyl chloride
CID 91035516
(2E)-4-chloro-2-methylpenta-2,4-dienamide
CID 88966274
4-chloro-3,6-dimethylideneoct-4-ene-2,7-dione
CID 123443790
(E)-2-bromo-4-(dimethylsulfamoylimino)pent-2-ene
CID 123796977

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-6-chloro-N,N,5-trimethylhepta-2,4,6-triene-3-sulfonamide?
The IUPAC name of (2E,4Z)-6-chloro-N,N,5-trimethylhepta-2,4,6-triene-3-sulfonamide (CID 144809276) is (2E,4Z)-6-chloro-N,N,5-trimethylhepta-2,4,6-triene-3-sulfonamide.
What is the SMILES notation for (2E,4Z)-6-chloro-N,N,5-trimethylhepta-2,4,6-triene-3-sulfonamide?
The canonical SMILES for (2E,4Z)-6-chloro-N,N,5-trimethylhepta-2,4,6-triene-3-sulfonamide is C=C(Cl)/C(C)=C\C(=C/C)S(=O)(=O)N(C)C.
What is the InChIKey of (2E,4Z)-6-chloro-N,N,5-trimethylhepta-2,4,6-triene-3-sulfonamide?
The InChIKey is ZWKVWLCRNVYWCB-SDHBEMGISA-N. The full InChI is InChI=1S/C10H16ClNO2S/c1-6-10(7-8(2)9(3)11)15(13,14)12(4)5/h6-7H,3H2,1-2,4-5H3/b8-7-,10-6+.
What are the key properties of (2E,4Z)-6-chloro-N,N,5-trimethylhepta-2,4,6-triene-3-sulfonamide?
(2E,4Z)-6-chloro-N,N,5-trimethylhepta-2,4,6-triene-3-sulfonamide has a molecular weight of 249.76 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-6-chloro-N,N,5-trimethylhepta-2,4,6-triene-3-sulfonamide is sourced from PubChem (CID 144809276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).