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

C26H28ClF2N3O4S2 — CID 11628494

IUPAC4-chloro-N-(2,5-difluorophenyl)-N-[1-[5-[3-[3-(hydroxymethyl)piperidin-1-yl]-3-oxopropyl]-1,3-thiazol-2-yl]ethyl]benzenesulfonamide
SMILESCC(c1ncc(CCC(=O)N2CCCC(CO)C2)s1)N(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C26H28ClF2N3O4S2/c1-17(26-30-14-21(37-26)7-11-25(34)31-12-2-3-18(15-31)16-33)32(24-13-20(28)6-10-23(24)29)38(35,36)22-8-4-19(27)5-9-22/h4-6,8-10,13-14,17-18,33H,2-3,7,11-12,15-16H2,1H3
InChIKeyFIWYUXFFUAHKER-UHFFFAOYSA-N
MW584.11 g/mol
LogP5.19
Rot. Bonds9

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

4-chloro-N-(2,5-difluorophenyl)-N-[1-[5-[3-[3-(hydroxymethyl)piperidin-1-yl]-3-oxopropyl]-1,3-thiazol-2-yl]ethyl]benzenesulfonamide (PubChem CID 11628494) has the molecular formula C26H28ClF2N3O4S2 and a molecular weight of 584.11 g/mol. Its IUPAC name is 4-chloro-N-(2,5-difluorophenyl)-N-[1-[5-[3-[3-(hydroxymethyl)piperidin-1-yl]-3-oxopropyl]-1,3-thiazol-2-yl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(2,5-difluorophenyl)-N-[1-[5-[3-[3-(hydroxymethyl)piperidin-1-yl]-3-oxopropyl]-1,3-thiazol-2-yl]ethyl]benzenesulfonamide
PubChem CID11628494
Molecular FormulaC26H28ClF2N3O4S2
Molecular Weight584.11 g/mol
Exact Mass583.12
IUPAC Name4-chloro-N-(2,5-difluorophenyl)-N-[1-[5-[3-[3-(hydroxymethyl)piperidin-1-yl]-3-oxopropyl]-1,3-thiazol-2-yl]ethyl]benzenesulfonamide
SMILESCC(c1ncc(CCC(=O)N2CCCC(CO)C2)s1)N(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C26H28ClF2N3O4S2/c1-17(26-30-14-21(37-26)7-11-25(34)31-12-2-3-18(15-31)16-33)32(24-13-20(28)6-10-23(24)29)38(35,36)22-8-4-19(27)5-9-22/h4-6,8-10,13-14,17-18,33H,2-3,7,11-12,15-16H2,1H3
InChIKeyFIWYUXFFUAHKER-UHFFFAOYSA-N
XLogP5.19
TPSA90.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.11
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-chloro-N-(2,5-difluorophenyl)-N-[1-[5-[3-[3-(hydroxymethyl)piperidin-1-yl]-3-oxopropyl]-1,3-thiazol-2-yl]ethyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2,5-difluorophenyl)-N-[1-[5-[3-[3-(hydroxymethyl)piperidin-1-yl]-3-oxopropyl]-1,3-thiazol-2-yl]ethyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-(2,5-difluorophenyl)-N-[1-[5-[3-[3-(hydroxymethyl)piperidin-1-yl]-3-oxopropyl]-1,3-thiazol-2-yl]ethyl]benzenesulfonamide (CID 11628494) is 4-chloro-N-(2,5-difluorophenyl)-N-[1-[5-[3-[3-(hydroxymethyl)piperidin-1-yl]-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-[3-(hydroxymethyl)piperidin-1-yl]-3-oxopropyl]-1,3-thiazol-2-yl]ethyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(2,5-difluorophenyl)-N-[1-[5-[3-[3-(hydroxymethyl)piperidin-1-yl]-3-oxopropyl]-1,3-thiazol-2-yl]ethyl]benzenesulfonamide is CC(c1ncc(CCC(=O)N2CCCC(CO)C2)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-[3-(hydroxymethyl)piperidin-1-yl]-3-oxopropyl]-1,3-thiazol-2-yl]ethyl]benzenesulfonamide?
The InChIKey is FIWYUXFFUAHKER-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28ClF2N3O4S2/c1-17(26-30-14-21(37-26)7-11-25(34)31-12-2-3-18(15-31)16-33)32(24-13-20(28)6-10-23(24)29)38(35,36)22-8-4-19(27)5-9-22/h4-6,8-10,13-14,17-18,33H,2-3,7,11-12,15-16H2,1H3.
What are the key properties of 4-chloro-N-(2,5-difluorophenyl)-N-[1-[5-[3-[3-(hydroxymethyl)piperidin-1-yl]-3-oxopropyl]-1,3-thiazol-2-yl]ethyl]benzenesulfonamide?
4-chloro-N-(2,5-difluorophenyl)-N-[1-[5-[3-[3-(hydroxymethyl)piperidin-1-yl]-3-oxopropyl]-1,3-thiazol-2-yl]ethyl]benzenesulfonamide has a molecular weight of 584.11 g/mol, XLogP of 5.19, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2,5-difluorophenyl)-N-[1-[5-[3-[3-(hydroxymethyl)piperidin-1-yl]-3-oxopropyl]-1,3-thiazol-2-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 11628494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).