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

C20H19ClF2N2O3S2 — CID 11590969

IUPAC4-chloro-N-(2,5-difluorophenyl)-N-[1-[5-(3-hydroxypropyl)-1,3-thiazol-2-yl]ethyl]benzenesulfonamide
SMILESCC(c1ncc(CCCO)s1)N(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H19ClF2N2O3S2/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/h4-9,11-13,26H,2-3,10H2,1H3
InChIKeyDMPZGSOAKRFOTG-UHFFFAOYSA-N
MW472.97 g/mol
LogP4.96
Rot. Bonds8

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

4-chloro-N-(2,5-difluorophenyl)-N-[1-[5-(3-hydroxypropyl)-1,3-thiazol-2-yl]ethyl]benzenesulfonamide (PubChem CID 11590969) has the molecular formula C20H19ClF2N2O3S2 and a molecular weight of 472.97 g/mol. Its IUPAC name is 4-chloro-N-(2,5-difluorophenyl)-N-[1-[5-(3-hydroxypropyl)-1,3-thiazol-2-yl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(2,5-difluorophenyl)-N-[1-[5-(3-hydroxypropyl)-1,3-thiazol-2-yl]ethyl]benzenesulfonamide
PubChem CID11590969
Molecular FormulaC20H19ClF2N2O3S2
Molecular Weight472.97 g/mol
Exact Mass472.05
IUPAC Name4-chloro-N-(2,5-difluorophenyl)-N-[1-[5-(3-hydroxypropyl)-1,3-thiazol-2-yl]ethyl]benzenesulfonamide
SMILESCC(c1ncc(CCCO)s1)N(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H19ClF2N2O3S2/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/h4-9,11-13,26H,2-3,10H2,1H3
InChIKeyDMPZGSOAKRFOTG-UHFFFAOYSA-N
XLogP4.96
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.97
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2,5-difluorophenyl)-N-[1-[5-(3-hydroxypropyl)-1,3-thiazol-2-yl]ethyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-(2,5-difluorophenyl)-N-[1-[5-(3-hydroxypropyl)-1,3-thiazol-2-yl]ethyl]benzenesulfonamide (CID 11590969) is 4-chloro-N-(2,5-difluorophenyl)-N-[1-[5-(3-hydroxypropyl)-1,3-thiazol-2-yl]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(2,5-difluorophenyl)-N-[1-[5-(3-hydroxypropyl)-1,3-thiazol-2-yl]ethyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(2,5-difluorophenyl)-N-[1-[5-(3-hydroxypropyl)-1,3-thiazol-2-yl]ethyl]benzenesulfonamide is CC(c1ncc(CCCO)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-hydroxypropyl)-1,3-thiazol-2-yl]ethyl]benzenesulfonamide?
The InChIKey is DMPZGSOAKRFOTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClF2N2O3S2/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/h4-9,11-13,26H,2-3,10H2,1H3.
What are the key properties of 4-chloro-N-(2,5-difluorophenyl)-N-[1-[5-(3-hydroxypropyl)-1,3-thiazol-2-yl]ethyl]benzenesulfonamide?
4-chloro-N-(2,5-difluorophenyl)-N-[1-[5-(3-hydroxypropyl)-1,3-thiazol-2-yl]ethyl]benzenesulfonamide has a molecular weight of 472.97 g/mol, XLogP of 4.96, 8 rotatable bonds, 1 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-hydroxypropyl)-1,3-thiazol-2-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 11590969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).