5-chloro-2-(methanesulfonamido)-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]benzamide

C14H19ClN2O4S — CID 95281365

IUPAC5-chloro-2-(methanesulfonamido)-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]benzamide
SMILESC[C@H](NC(=O)c1cc(Cl)ccc1NS(C)(=O)=O)[C@H]1CCCO1
InChIInChI=1S/C14H19ClN2O4S/c1-9(13-4-3-7-21-13)16-14(18)11-8-10(15)5-6-12(11)17-22(2,19)20/h5-6,8-9,13,17H,3-4,7H2,1-2H3,(H,16,18)/t9-,13+/m0/s1
InChIKeyAFQMEEADNQPMLE-TVQRCGJNSA-N
MW346.84 g/mol
LogP2.01
Rot. Bonds5

About 5-chloro-2-(methanesulfonamido)-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]benzamide

5-chloro-2-(methanesulfonamido)-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]benzamide (PubChem CID 95281365) has the molecular formula C14H19ClN2O4S and a molecular weight of 346.84 g/mol. Its IUPAC name is 5-chloro-2-(methanesulfonamido)-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]benzamide.

Molecular Properties

Compound Name5-chloro-2-(methanesulfonamido)-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]benzamide
PubChem CID95281365
Molecular FormulaC14H19ClN2O4S
Molecular Weight346.84 g/mol
Exact Mass346.08
IUPAC Name5-chloro-2-(methanesulfonamido)-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]benzamide
SMILESC[C@H](NC(=O)c1cc(Cl)ccc1NS(C)(=O)=O)[C@H]1CCCO1
InChIInChI=1S/C14H19ClN2O4S/c1-9(13-4-3-7-21-13)16-14(18)11-8-10(15)5-6-12(11)17-22(2,19)20/h5-6,8-9,13,17H,3-4,7H2,1-2H3,(H,16,18)/t9-,13+/m0/s1
InChIKeyAFQMEEADNQPMLE-TVQRCGJNSA-N
XLogP2.01
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.84
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-chloro-2-(methanesulfonamido)-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]benzamide with MolForge

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

Launch Full Analysis

Related Compounds

2-chloro-N-[1-(oxolan-2-yl)ethyl]-5-sulfamoylbenzamide
CID 60966372
5-amino-2-chloro-N-[1-(oxolan-2-yl)ethyl]benzamide
CID 43533754
4-chloro-3-methylsulfonyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]benzamide
CID 35230890
2-(4-chlorophenyl)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]acetamide
CID 42563052
5-chloro-N-(cyclobutylmethyl)-2-(methanesulfonamido)benzamide
CID 49194436
3-chloro-4-iodo-N-[1-(oxolan-2-yl)ethyl]benzamide
CID 103735000
2-methyl-5-[1-(oxolan-2-yl)ethylcarbamoyl]benzenesulfonyl chloride
CID 65371905
2,3-difluoro-N-[1-(oxolan-2-yl)ethyl]benzamide
CID 62648709
N-(4-chlorophenyl)-N'-[1-(oxolan-2-yl)ethyl]oxamide
CID 47229364
4-chloro-N-[3-methyl-1-oxo-1-[1-(oxolan-2-yl)ethylamino]butan-2-yl]benzamide
CID 55609498
N-[1-(oxolan-2-yl)ethyl]-4-propan-2-ylbenzamide
CID 6468560
3-[1-(oxolan-2-yl)ethylcarbamoyl]benzenesulfonyl chloride
CID 43533927

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(methanesulfonamido)-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]benzamide?
The IUPAC name of 5-chloro-2-(methanesulfonamido)-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]benzamide (CID 95281365) is 5-chloro-2-(methanesulfonamido)-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]benzamide.
What is the SMILES notation for 5-chloro-2-(methanesulfonamido)-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]benzamide?
The canonical SMILES for 5-chloro-2-(methanesulfonamido)-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]benzamide is C[C@H](NC(=O)c1cc(Cl)ccc1NS(C)(=O)=O)[C@H]1CCCO1.
What is the InChIKey of 5-chloro-2-(methanesulfonamido)-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]benzamide?
The InChIKey is AFQMEEADNQPMLE-TVQRCGJNSA-N. The full InChI is InChI=1S/C14H19ClN2O4S/c1-9(13-4-3-7-21-13)16-14(18)11-8-10(15)5-6-12(11)17-22(2,19)20/h5-6,8-9,13,17H,3-4,7H2,1-2H3,(H,16,18)/t9-,13+/m0/s1.
What are the key properties of 5-chloro-2-(methanesulfonamido)-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]benzamide?
5-chloro-2-(methanesulfonamido)-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]benzamide has a molecular weight of 346.84 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(methanesulfonamido)-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]benzamide is sourced from PubChem (CID 95281365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).