4-chloro-3-methylsulfonyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]benzamide

C14H18ClNO4S — CID 35230890

IUPAC4-chloro-3-methylsulfonyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]benzamide
SMILESC[C@H](NC(=O)c1ccc(Cl)c(S(C)(=O)=O)c1)[C@@H]1CCCO1
InChIInChI=1S/C14H18ClNO4S/c1-9(12-4-3-7-20-12)16-14(17)10-5-6-11(15)13(8-10)21(2,18)19/h5-6,8-9,12H,3-4,7H2,1-2H3,(H,16,17)/t9-,12-/m0/s1
InChIKeyXFTHJSGKQBHGDI-CABZTGNLSA-N
MW331.82 g/mol
LogP2.04
Rot. Bonds4

About 4-chloro-3-methylsulfonyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]benzamide

4-chloro-3-methylsulfonyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]benzamide (PubChem CID 35230890) has the molecular formula C14H18ClNO4S and a molecular weight of 331.82 g/mol. Its IUPAC name is 4-chloro-3-methylsulfonyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]benzamide.

Molecular Properties

Compound Name4-chloro-3-methylsulfonyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]benzamide
PubChem CID35230890
Molecular FormulaC14H18ClNO4S
Molecular Weight331.82 g/mol
Exact Mass331.06
IUPAC Name4-chloro-3-methylsulfonyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]benzamide
SMILESC[C@H](NC(=O)c1ccc(Cl)c(S(C)(=O)=O)c1)[C@@H]1CCCO1
InChIInChI=1S/C14H18ClNO4S/c1-9(12-4-3-7-20-12)16-14(17)10-5-6-11(15)13(8-10)21(2,18)19/h5-6,8-9,12H,3-4,7H2,1-2H3,(H,16,17)/t9-,12-/m0/s1
InChIKeyXFTHJSGKQBHGDI-CABZTGNLSA-N
XLogP2.04
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.82
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-chloro-3-methylsulfonyl-N-[(1S)-1-[(2S)-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

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-chloro-N-[1-(oxolan-2-yl)ethyl]-5-sulfamoylbenzamide
CID 60966372
5-amino-2-chloro-N-[1-(oxolan-2-yl)ethyl]benzamide
CID 43533754
N-[1-(oxolan-2-yl)ethyl]-4-propan-2-ylbenzamide
CID 6468560
3-[1-(oxolan-2-yl)ethylcarbamoyl]benzenesulfonyl chloride
CID 43533927
4-methyl-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]benzamide
CID 27232652
3,5-dimethyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]benzamide
CID 27233431
3-hydroxy-4-iodo-N-[1-(oxolan-2-yl)ethyl]benzamide
CID 104627700
2-chloro-5-(1-cyclopropylethylcarbamoyl)benzenesulfonyl chloride
CID 65370751
4-(chloromethyl)-N-[1-(oxolan-2-yl)ethyl]benzamide
CID 43533877
N-[2-chloro-5-[1-(oxolan-2-yl)ethylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 43062296

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-methylsulfonyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]benzamide?
The IUPAC name of 4-chloro-3-methylsulfonyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]benzamide (CID 35230890) is 4-chloro-3-methylsulfonyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]benzamide.
What is the SMILES notation for 4-chloro-3-methylsulfonyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]benzamide?
The canonical SMILES for 4-chloro-3-methylsulfonyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]benzamide is C[C@H](NC(=O)c1ccc(Cl)c(S(C)(=O)=O)c1)[C@@H]1CCCO1.
What is the InChIKey of 4-chloro-3-methylsulfonyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]benzamide?
The InChIKey is XFTHJSGKQBHGDI-CABZTGNLSA-N. The full InChI is InChI=1S/C14H18ClNO4S/c1-9(12-4-3-7-20-12)16-14(17)10-5-6-11(15)13(8-10)21(2,18)19/h5-6,8-9,12H,3-4,7H2,1-2H3,(H,16,17)/t9-,12-/m0/s1.
What are the key properties of 4-chloro-3-methylsulfonyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]benzamide?
4-chloro-3-methylsulfonyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]benzamide has a molecular weight of 331.82 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-methylsulfonyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]benzamide is sourced from PubChem (CID 35230890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).