4-[2-(3,5-dichloro-4-methoxyphenyl)cyclopenten-1-yl]benzenesulfonamide

C18H17Cl2NO3S — CID 10692230

IUPAC4-[2-(3,5-dichloro-4-methoxyphenyl)cyclopenten-1-yl]benzenesulfonamide
SMILESCOc1c(Cl)cc(C2=C(c3ccc(S(N)(=O)=O)cc3)CCC2)cc1Cl
InChIInChI=1S/C18H17Cl2NO3S/c1-24-18-16(19)9-12(10-17(18)20)15-4-2-3-14(15)11-5-7-13(8-6-11)25(21,22)23/h5-10H,2-4H2,1H3,(H2,21,22,23)
InChIKeyDOPHVLMILOKUHS-UHFFFAOYSA-N
MW398.31 g/mol
LogP4.74
Rot. Bonds4

About 4-[2-(3,5-dichloro-4-methoxyphenyl)cyclopenten-1-yl]benzenesulfonamide

4-[2-(3,5-dichloro-4-methoxyphenyl)cyclopenten-1-yl]benzenesulfonamide (PubChem CID 10692230) has the molecular formula C18H17Cl2NO3S and a molecular weight of 398.31 g/mol. Its IUPAC name is 4-[2-(3,5-dichloro-4-methoxyphenyl)cyclopenten-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-(3,5-dichloro-4-methoxyphenyl)cyclopenten-1-yl]benzenesulfonamide
PubChem CID10692230
Molecular FormulaC18H17Cl2NO3S
Molecular Weight398.31 g/mol
Exact Mass397.03
IUPAC Name4-[2-(3,5-dichloro-4-methoxyphenyl)cyclopenten-1-yl]benzenesulfonamide
SMILESCOc1c(Cl)cc(C2=C(c3ccc(S(N)(=O)=O)cc3)CCC2)cc1Cl
InChIInChI=1S/C18H17Cl2NO3S/c1-24-18-16(19)9-12(10-17(18)20)15-4-2-3-14(15)11-5-7-13(8-6-11)25(21,22)23/h5-10H,2-4H2,1H3,(H2,21,22,23)
InChIKeyDOPHVLMILOKUHS-UHFFFAOYSA-N
XLogP4.74
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.31
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(3,5-dichloro-4-methoxyphenyl)cyclopenten-1-yl]benzenesulfonamide?
The IUPAC name of 4-[2-(3,5-dichloro-4-methoxyphenyl)cyclopenten-1-yl]benzenesulfonamide (CID 10692230) is 4-[2-(3,5-dichloro-4-methoxyphenyl)cyclopenten-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[2-(3,5-dichloro-4-methoxyphenyl)cyclopenten-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[2-(3,5-dichloro-4-methoxyphenyl)cyclopenten-1-yl]benzenesulfonamide is COc1c(Cl)cc(C2=C(c3ccc(S(N)(=O)=O)cc3)CCC2)cc1Cl.
What is the InChIKey of 4-[2-(3,5-dichloro-4-methoxyphenyl)cyclopenten-1-yl]benzenesulfonamide?
The InChIKey is DOPHVLMILOKUHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2NO3S/c1-24-18-16(19)9-12(10-17(18)20)15-4-2-3-14(15)11-5-7-13(8-6-11)25(21,22)23/h5-10H,2-4H2,1H3,(H2,21,22,23).
What are the key properties of 4-[2-(3,5-dichloro-4-methoxyphenyl)cyclopenten-1-yl]benzenesulfonamide?
4-[2-(3,5-dichloro-4-methoxyphenyl)cyclopenten-1-yl]benzenesulfonamide has a molecular weight of 398.31 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3,5-dichloro-4-methoxyphenyl)cyclopenten-1-yl]benzenesulfonamide is sourced from PubChem (CID 10692230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).