4-[2-[3-chloro-4-(dimethylamino)phenyl]cyclopenten-1-yl]benzenesulfonamide

C19H21ClN2O2S — CID 10714590

IUPAC4-[2-[3-chloro-4-(dimethylamino)phenyl]cyclopenten-1-yl]benzenesulfonamide
SMILESCN(C)c1ccc(C2=C(c3ccc(S(N)(=O)=O)cc3)CCC2)cc1Cl
InChIInChI=1S/C19H21ClN2O2S/c1-22(2)19-11-8-14(12-18(19)20)17-5-3-4-16(17)13-6-9-15(10-7-13)25(21,23)24/h6-12H,3-5H2,1-2H3,(H2,21,23,24)
InChIKeyUCGZGNACKJUNKA-UHFFFAOYSA-N
MW376.91 g/mol
LogP4.15
Rot. Bonds4

About 4-[2-[3-chloro-4-(dimethylamino)phenyl]cyclopenten-1-yl]benzenesulfonamide

4-[2-[3-chloro-4-(dimethylamino)phenyl]cyclopenten-1-yl]benzenesulfonamide (PubChem CID 10714590) has the molecular formula C19H21ClN2O2S and a molecular weight of 376.91 g/mol. Its IUPAC name is 4-[2-[3-chloro-4-(dimethylamino)phenyl]cyclopenten-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[3-chloro-4-(dimethylamino)phenyl]cyclopenten-1-yl]benzenesulfonamide
PubChem CID10714590
Molecular FormulaC19H21ClN2O2S
Molecular Weight376.91 g/mol
Exact Mass376.10
IUPAC Name4-[2-[3-chloro-4-(dimethylamino)phenyl]cyclopenten-1-yl]benzenesulfonamide
SMILESCN(C)c1ccc(C2=C(c3ccc(S(N)(=O)=O)cc3)CCC2)cc1Cl
InChIInChI=1S/C19H21ClN2O2S/c1-22(2)19-11-8-14(12-18(19)20)17-5-3-4-16(17)13-6-9-15(10-7-13)25(21,23)24/h6-12H,3-5H2,1-2H3,(H2,21,23,24)
InChIKeyUCGZGNACKJUNKA-UHFFFAOYSA-N
XLogP4.15
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.91
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-chloro-4-(dimethylamino)phenyl]cyclopenten-1-yl]benzenesulfonamide?
The IUPAC name of 4-[2-[3-chloro-4-(dimethylamino)phenyl]cyclopenten-1-yl]benzenesulfonamide (CID 10714590) is 4-[2-[3-chloro-4-(dimethylamino)phenyl]cyclopenten-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[2-[3-chloro-4-(dimethylamino)phenyl]cyclopenten-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[2-[3-chloro-4-(dimethylamino)phenyl]cyclopenten-1-yl]benzenesulfonamide is CN(C)c1ccc(C2=C(c3ccc(S(N)(=O)=O)cc3)CCC2)cc1Cl.
What is the InChIKey of 4-[2-[3-chloro-4-(dimethylamino)phenyl]cyclopenten-1-yl]benzenesulfonamide?
The InChIKey is UCGZGNACKJUNKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2S/c1-22(2)19-11-8-14(12-18(19)20)17-5-3-4-16(17)13-6-9-15(10-7-13)25(21,23)24/h6-12H,3-5H2,1-2H3,(H2,21,23,24).
What are the key properties of 4-[2-[3-chloro-4-(dimethylamino)phenyl]cyclopenten-1-yl]benzenesulfonamide?
4-[2-[3-chloro-4-(dimethylamino)phenyl]cyclopenten-1-yl]benzenesulfonamide has a molecular weight of 376.91 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-chloro-4-(dimethylamino)phenyl]cyclopenten-1-yl]benzenesulfonamide is sourced from PubChem (CID 10714590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).