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

C18H15ClF2N2O3S2 — CID 11633676

IUPAC4-chloro-N-(2,5-difluorophenyl)-N-[1-[2-(hydroxymethyl)-1,3-thiazol-5-yl]ethyl]benzenesulfonamide
SMILESCC(c1cnc(CO)s1)N(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H15ClF2N2O3S2/c1-11(17-9-22-18(10-24)27-17)23(16-8-13(20)4-7-15(16)21)28(25,26)14-5-2-12(19)3-6-14/h2-9,11,24H,10H2,1H3
InChIKeyPKEVNIVNBFEOFA-UHFFFAOYSA-N
MW444.91 g/mol
LogP4.52
Rot. Bonds6

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

4-chloro-N-(2,5-difluorophenyl)-N-[1-[2-(hydroxymethyl)-1,3-thiazol-5-yl]ethyl]benzenesulfonamide (PubChem CID 11633676) has the molecular formula C18H15ClF2N2O3S2 and a molecular weight of 444.91 g/mol. Its IUPAC name is 4-chloro-N-(2,5-difluorophenyl)-N-[1-[2-(hydroxymethyl)-1,3-thiazol-5-yl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(2,5-difluorophenyl)-N-[1-[2-(hydroxymethyl)-1,3-thiazol-5-yl]ethyl]benzenesulfonamide
PubChem CID11633676
Molecular FormulaC18H15ClF2N2O3S2
Molecular Weight444.91 g/mol
Exact Mass444.02
IUPAC Name4-chloro-N-(2,5-difluorophenyl)-N-[1-[2-(hydroxymethyl)-1,3-thiazol-5-yl]ethyl]benzenesulfonamide
SMILESCC(c1cnc(CO)s1)N(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H15ClF2N2O3S2/c1-11(17-9-22-18(10-24)27-17)23(16-8-13(20)4-7-15(16)21)28(25,26)14-5-2-12(19)3-6-14/h2-9,11,24H,10H2,1H3
InChIKeyPKEVNIVNBFEOFA-UHFFFAOYSA-N
XLogP4.52
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.91
LogP ≤ 54.52
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-[2-(hydroxymethyl)-1,3-thiazol-5-yl]ethyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-(2,5-difluorophenyl)-N-[1-[2-(hydroxymethyl)-1,3-thiazol-5-yl]ethyl]benzenesulfonamide (CID 11633676) is 4-chloro-N-(2,5-difluorophenyl)-N-[1-[2-(hydroxymethyl)-1,3-thiazol-5-yl]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(2,5-difluorophenyl)-N-[1-[2-(hydroxymethyl)-1,3-thiazol-5-yl]ethyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(2,5-difluorophenyl)-N-[1-[2-(hydroxymethyl)-1,3-thiazol-5-yl]ethyl]benzenesulfonamide is CC(c1cnc(CO)s1)N(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(2,5-difluorophenyl)-N-[1-[2-(hydroxymethyl)-1,3-thiazol-5-yl]ethyl]benzenesulfonamide?
The InChIKey is PKEVNIVNBFEOFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClF2N2O3S2/c1-11(17-9-22-18(10-24)27-17)23(16-8-13(20)4-7-15(16)21)28(25,26)14-5-2-12(19)3-6-14/h2-9,11,24H,10H2,1H3.
What are the key properties of 4-chloro-N-(2,5-difluorophenyl)-N-[1-[2-(hydroxymethyl)-1,3-thiazol-5-yl]ethyl]benzenesulfonamide?
4-chloro-N-(2,5-difluorophenyl)-N-[1-[2-(hydroxymethyl)-1,3-thiazol-5-yl]ethyl]benzenesulfonamide has a molecular weight of 444.91 g/mol, XLogP of 4.52, 6 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-[2-(hydroxymethyl)-1,3-thiazol-5-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 11633676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).