4-chloro-N-(2,5-difluorophenyl)-N-[1-[5-(3-oxopropyl)-1,3-thiazol-2-yl]ethyl]benzenesulfonamide

C20H17ClF2N2O3S2 — CID 11518448

IUPAC4-chloro-N-(2,5-difluorophenyl)-N-[1-[5-(3-oxopropyl)-1,3-thiazol-2-yl]ethyl]benzenesulfonamide
SMILESCC(c1ncc(CCC=O)s1)N(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H17ClF2N2O3S2/c1-13(20-24-12-16(29-20)3-2-10-26)25(19-11-15(22)6-9-18(19)23)30(27,28)17-7-4-14(21)5-8-17/h4-13H,2-3H2,1H3
InChIKeyAAWCJUBXLOMDGZ-UHFFFAOYSA-N
MW470.95 g/mol
LogP5.16
Rot. Bonds8

About 4-chloro-N-(2,5-difluorophenyl)-N-[1-[5-(3-oxopropyl)-1,3-thiazol-2-yl]ethyl]benzenesulfonamide

4-chloro-N-(2,5-difluorophenyl)-N-[1-[5-(3-oxopropyl)-1,3-thiazol-2-yl]ethyl]benzenesulfonamide (PubChem CID 11518448) has the molecular formula C20H17ClF2N2O3S2 and a molecular weight of 470.95 g/mol. Its IUPAC name is 4-chloro-N-(2,5-difluorophenyl)-N-[1-[5-(3-oxopropyl)-1,3-thiazol-2-yl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(2,5-difluorophenyl)-N-[1-[5-(3-oxopropyl)-1,3-thiazol-2-yl]ethyl]benzenesulfonamide
PubChem CID11518448
Molecular FormulaC20H17ClF2N2O3S2
Molecular Weight470.95 g/mol
Exact Mass470.03
IUPAC Name4-chloro-N-(2,5-difluorophenyl)-N-[1-[5-(3-oxopropyl)-1,3-thiazol-2-yl]ethyl]benzenesulfonamide
SMILESCC(c1ncc(CCC=O)s1)N(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H17ClF2N2O3S2/c1-13(20-24-12-16(29-20)3-2-10-26)25(19-11-15(22)6-9-18(19)23)30(27,28)17-7-4-14(21)5-8-17/h4-13H,2-3H2,1H3
InChIKeyAAWCJUBXLOMDGZ-UHFFFAOYSA-N
XLogP5.16
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.95
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2,5-difluorophenyl)-N-[1-[5-(3-oxopropyl)-1,3-thiazol-2-yl]ethyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-(2,5-difluorophenyl)-N-[1-[5-(3-oxopropyl)-1,3-thiazol-2-yl]ethyl]benzenesulfonamide (CID 11518448) is 4-chloro-N-(2,5-difluorophenyl)-N-[1-[5-(3-oxopropyl)-1,3-thiazol-2-yl]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(2,5-difluorophenyl)-N-[1-[5-(3-oxopropyl)-1,3-thiazol-2-yl]ethyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(2,5-difluorophenyl)-N-[1-[5-(3-oxopropyl)-1,3-thiazol-2-yl]ethyl]benzenesulfonamide is CC(c1ncc(CCC=O)s1)N(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(2,5-difluorophenyl)-N-[1-[5-(3-oxopropyl)-1,3-thiazol-2-yl]ethyl]benzenesulfonamide?
The InChIKey is AAWCJUBXLOMDGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClF2N2O3S2/c1-13(20-24-12-16(29-20)3-2-10-26)25(19-11-15(22)6-9-18(19)23)30(27,28)17-7-4-14(21)5-8-17/h4-13H,2-3H2,1H3.
What are the key properties of 4-chloro-N-(2,5-difluorophenyl)-N-[1-[5-(3-oxopropyl)-1,3-thiazol-2-yl]ethyl]benzenesulfonamide?
4-chloro-N-(2,5-difluorophenyl)-N-[1-[5-(3-oxopropyl)-1,3-thiazol-2-yl]ethyl]benzenesulfonamide has a molecular weight of 470.95 g/mol, XLogP of 5.16, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2,5-difluorophenyl)-N-[1-[5-(3-oxopropyl)-1,3-thiazol-2-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 11518448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).