4-chloro-3-[[(2S)-oxolan-2-yl]methylsulfamoyl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide

C22H24ClN3O5S — CID 41096601

IUPAC4-chloro-3-[[(2S)-oxolan-2-yl]methylsulfamoyl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
SMILESO=C(Nc1cccc(N2CCCC2=O)c1)c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CCCO2)c1
InChIInChI=1S/C22H24ClN3O5S/c23-19-9-8-15(12-20(19)32(29,30)24-14-18-6-3-11-31-18)22(28)25-16-4-1-5-17(13-16)26-10-2-7-21(26)27/h1,4-5,8-9,12-13,18,24H,2-3,6-7,10-11,14H2,(H,25,28)/t18-/m0/s1
InChIKeyGATNYZBXAXGXBG-SFHVURJKSA-N
MW477.97 g/mol
LogP3.18
Rot. Bonds7

About 4-chloro-3-[[(2S)-oxolan-2-yl]methylsulfamoyl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide

4-chloro-3-[[(2S)-oxolan-2-yl]methylsulfamoyl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide (PubChem CID 41096601) has the molecular formula C22H24ClN3O5S and a molecular weight of 477.97 g/mol. Its IUPAC name is 4-chloro-3-[[(2S)-oxolan-2-yl]methylsulfamoyl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-chloro-3-[[(2S)-oxolan-2-yl]methylsulfamoyl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
PubChem CID41096601
Molecular FormulaC22H24ClN3O5S
Molecular Weight477.97 g/mol
Exact Mass477.11
IUPAC Name4-chloro-3-[[(2S)-oxolan-2-yl]methylsulfamoyl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
SMILESO=C(Nc1cccc(N2CCCC2=O)c1)c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CCCO2)c1
InChIInChI=1S/C22H24ClN3O5S/c23-19-9-8-15(12-20(19)32(29,30)24-14-18-6-3-11-31-18)22(28)25-16-4-1-5-17(13-16)26-10-2-7-21(26)27/h1,4-5,8-9,12-13,18,24H,2-3,6-7,10-11,14H2,(H,25,28)/t18-/m0/s1
InChIKeyGATNYZBXAXGXBG-SFHVURJKSA-N
XLogP3.18
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.97
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[(2R)-oxolan-2-yl]methylsulfamoyl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 41119372
4-chloro-N-(3-fluorophenyl)-3-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 8017104
4-chloro-N-(3,4-difluorophenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 46798639
4-chloro-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 40917313
4-chloro-N-[2-(4-methylpiperazin-1-yl)phenyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 55541273
4-ethyl-3-morpholin-4-ylsulfonyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 43058895
4-chloro-3-(oxolan-2-ylmethylsulfamoyl)-N-(1,3-thiazol-2-yl)benzamide
CID 18291900
4-chloro-3-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzoate
CID 2095487
4-chloro-N-(2,4-dimethylphenyl)-3-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 9342591
propan-2-yl 2-[[4-chloro-3-(oxolan-2-ylmethylsulfamoyl)benzoyl]amino]acetate
CID 56547063
N-(3-chlorophenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 109063911
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-chloro-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 55954261

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[[(2S)-oxolan-2-yl]methylsulfamoyl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide?
The IUPAC name of 4-chloro-3-[[(2S)-oxolan-2-yl]methylsulfamoyl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide (CID 41096601) is 4-chloro-3-[[(2S)-oxolan-2-yl]methylsulfamoyl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide.
What is the SMILES notation for 4-chloro-3-[[(2S)-oxolan-2-yl]methylsulfamoyl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide?
The canonical SMILES for 4-chloro-3-[[(2S)-oxolan-2-yl]methylsulfamoyl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide is O=C(Nc1cccc(N2CCCC2=O)c1)c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CCCO2)c1.
What is the InChIKey of 4-chloro-3-[[(2S)-oxolan-2-yl]methylsulfamoyl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide?
The InChIKey is GATNYZBXAXGXBG-SFHVURJKSA-N. The full InChI is InChI=1S/C22H24ClN3O5S/c23-19-9-8-15(12-20(19)32(29,30)24-14-18-6-3-11-31-18)22(28)25-16-4-1-5-17(13-16)26-10-2-7-21(26)27/h1,4-5,8-9,12-13,18,24H,2-3,6-7,10-11,14H2,(H,25,28)/t18-/m0/s1.
What are the key properties of 4-chloro-3-[[(2S)-oxolan-2-yl]methylsulfamoyl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide?
4-chloro-3-[[(2S)-oxolan-2-yl]methylsulfamoyl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide has a molecular weight of 477.97 g/mol, XLogP of 3.18, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[[(2S)-oxolan-2-yl]methylsulfamoyl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide is sourced from PubChem (CID 41096601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).