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

C24H24ClF2N3O3S2 — CID 11497540

IUPAC4-chloro-N-(2,5-difluorophenyl)-N-[1-[5-(3-oxo-3-pyrrolidin-1-ylpropyl)-1,3-thiazol-2-yl]ethyl]benzenesulfonamide
SMILESCC(c1ncc(CCC(=O)N2CCCC2)s1)N(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C24H24ClF2N3O3S2/c1-16(24-28-15-19(34-24)7-11-23(31)29-12-2-3-13-29)30(22-14-18(26)6-10-21(22)27)35(32,33)20-8-4-17(25)5-9-20/h4-6,8-10,14-16H,2-3,7,11-13H2,1H3
InChIKeyUBHWUDAPHULSLW-UHFFFAOYSA-N
MW540.06 g/mol
LogP5.59
Rot. Bonds8

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

4-chloro-N-(2,5-difluorophenyl)-N-[1-[5-(3-oxo-3-pyrrolidin-1-ylpropyl)-1,3-thiazol-2-yl]ethyl]benzenesulfonamide (PubChem CID 11497540) has the molecular formula C24H24ClF2N3O3S2 and a molecular weight of 540.06 g/mol. Its IUPAC name is 4-chloro-N-(2,5-difluorophenyl)-N-[1-[5-(3-oxo-3-pyrrolidin-1-ylpropyl)-1,3-thiazol-2-yl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(2,5-difluorophenyl)-N-[1-[5-(3-oxo-3-pyrrolidin-1-ylpropyl)-1,3-thiazol-2-yl]ethyl]benzenesulfonamide
PubChem CID11497540
Molecular FormulaC24H24ClF2N3O3S2
Molecular Weight540.06 g/mol
Exact Mass539.09
IUPAC Name4-chloro-N-(2,5-difluorophenyl)-N-[1-[5-(3-oxo-3-pyrrolidin-1-ylpropyl)-1,3-thiazol-2-yl]ethyl]benzenesulfonamide
SMILESCC(c1ncc(CCC(=O)N2CCCC2)s1)N(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C24H24ClF2N3O3S2/c1-16(24-28-15-19(34-24)7-11-23(31)29-12-2-3-13-29)30(22-14-18(26)6-10-21(22)27)35(32,33)20-8-4-17(25)5-9-20/h4-6,8-10,14-16H,2-3,7,11-13H2,1H3
InChIKeyUBHWUDAPHULSLW-UHFFFAOYSA-N
XLogP5.59
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.06
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[2-[1-(N-(4-chlorophenyl)sulfonyl-2,5-difluoroanilino)ethyl]-1,3-thiazol-5-yl]propanoate
CID 11409449
4-chloro-N-(2,5-difluorophenyl)-N-[1-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 11502530
3-[2-[1-(N-(4-chlorophenyl)sulfonyl-2,5-difluoroanilino)ethyl]-1,3-thiazol-5-yl]propanoic acid
CID 11511451
4-chloro-N-(2,5-difluorophenyl)-N-[1-[5-(3-oxopropyl)-1,3-thiazol-2-yl]ethyl]benzenesulfonamide
CID 11518448
3-[5-[1-(N-(4-chlorophenyl)sulfonyl-2,5-difluoroanilino)ethyl]-1,3-thiazol-2-yl]propanoic acid
CID 11518744
2-[[2-[1-(N-(4-chlorophenyl)sulfonyl-2,5-difluoroanilino)ethyl]-4-methyl-1,3-thiazol-5-yl]methyl-methylamino]acetamide
CID 11519358
N-tert-butyl-3-[2-[1-(N-(4-chlorophenyl)sulfonyl-2,5-difluoroanilino)ethyl]-1,3-thiazol-5-yl]propanamide
CID 11519537
4-chloro-N-(2,5-difluorophenyl)-N-[1-(2-formyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide
CID 11532326
4-chloro-N-(2,5-difluorophenyl)-N-[1-[4-methyl-5-[(5-oxo-1,4-diazepan-1-yl)methyl]-1,3-thiazol-2-yl]ethyl]benzenesulfonamide
CID 11534127
3-[[2-[1-(N-(4-chlorophenyl)sulfonyl-2,5-difluoroanilino)ethyl]-4-methyl-1,3-thiazol-5-yl]methylamino]propanamide
CID 11555538
4-chloro-N-(2,5-difluorophenyl)-N-[1-[4-methyl-5-[[2-(2-oxopyrrolidin-1-yl)ethylamino]methyl]-1,3-thiazol-2-yl]ethyl]benzenesulfonamide
CID 11577768
5-[1-(N-(4-chlorophenyl)sulfonyl-2,5-difluoroanilino)ethyl]-1,3-thiazole-2-carboxamide
CID 11583391

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2,5-difluorophenyl)-N-[1-[5-(3-oxo-3-pyrrolidin-1-ylpropyl)-1,3-thiazol-2-yl]ethyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-(2,5-difluorophenyl)-N-[1-[5-(3-oxo-3-pyrrolidin-1-ylpropyl)-1,3-thiazol-2-yl]ethyl]benzenesulfonamide (CID 11497540) is 4-chloro-N-(2,5-difluorophenyl)-N-[1-[5-(3-oxo-3-pyrrolidin-1-ylpropyl)-1,3-thiazol-2-yl]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(2,5-difluorophenyl)-N-[1-[5-(3-oxo-3-pyrrolidin-1-ylpropyl)-1,3-thiazol-2-yl]ethyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(2,5-difluorophenyl)-N-[1-[5-(3-oxo-3-pyrrolidin-1-ylpropyl)-1,3-thiazol-2-yl]ethyl]benzenesulfonamide is CC(c1ncc(CCC(=O)N2CCCC2)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-oxo-3-pyrrolidin-1-ylpropyl)-1,3-thiazol-2-yl]ethyl]benzenesulfonamide?
The InChIKey is UBHWUDAPHULSLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClF2N3O3S2/c1-16(24-28-15-19(34-24)7-11-23(31)29-12-2-3-13-29)30(22-14-18(26)6-10-21(22)27)35(32,33)20-8-4-17(25)5-9-20/h4-6,8-10,14-16H,2-3,7,11-13H2,1H3.
What are the key properties of 4-chloro-N-(2,5-difluorophenyl)-N-[1-[5-(3-oxo-3-pyrrolidin-1-ylpropyl)-1,3-thiazol-2-yl]ethyl]benzenesulfonamide?
4-chloro-N-(2,5-difluorophenyl)-N-[1-[5-(3-oxo-3-pyrrolidin-1-ylpropyl)-1,3-thiazol-2-yl]ethyl]benzenesulfonamide has a molecular weight of 540.06 g/mol, XLogP of 5.59, 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-oxo-3-pyrrolidin-1-ylpropyl)-1,3-thiazol-2-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 11497540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).