2-(3-chloro-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide

C14H19ClN2O4S — CID 3144142

IUPAC2-(3-chloro-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide
SMILESCS(=O)(=O)N(CC(=O)NCC1CCCO1)c1cccc(Cl)c1
InChIInChI=1S/C14H19ClN2O4S/c1-22(19,20)17(12-5-2-4-11(15)8-12)10-14(18)16-9-13-6-3-7-21-13/h2,4-5,8,13H,3,6-7,9-10H2,1H3,(H,16,18)
InChIKeyPIFKDJPHQHFVKJ-UHFFFAOYSA-N
MW346.84 g/mol
LogP1.40
Rot. Bonds6

About 2-(3-chloro-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide

2-(3-chloro-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 3144142) has the molecular formula C14H19ClN2O4S and a molecular weight of 346.84 g/mol. Its IUPAC name is 2-(3-chloro-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(3-chloro-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide
PubChem CID3144142
Molecular FormulaC14H19ClN2O4S
Molecular Weight346.84 g/mol
Exact Mass346.08
IUPAC Name2-(3-chloro-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide
SMILESCS(=O)(=O)N(CC(=O)NCC1CCCO1)c1cccc(Cl)c1
InChIInChI=1S/C14H19ClN2O4S/c1-22(19,20)17(12-5-2-4-11(15)8-12)10-14(18)16-9-13-6-3-7-21-13/h2,4-5,8,13H,3,6-7,9-10H2,1H3,(H,16,18)
InChIKeyPIFKDJPHQHFVKJ-UHFFFAOYSA-N
XLogP1.40
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.84
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3-chloro-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide 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-(3-methyl-N-methylsulfonylanilino)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 1144931
2-(4-chloro-N-methylsulfonylanilino)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 976928
2-(3,4-difluoro-N-methylsulfonylanilino)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 7443283
2-(2,4-dichloro-N-methylsulfonylanilino)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 2235690
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 1135711
2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 1143002
2-(4-bromo-3-methyl-N-methylsulfonylanilino)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 7367014
2-(4-bromo-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 3252615
2-(4-ethyl-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 2929871
(2S)-2-(3-chloro-N-methylsulfonylanilino)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 8991497
2-(4-methoxy-N-methylsulfonylanilino)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 815924
2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 1138641

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-(3-chloro-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide (CID 3144142) is 2-(3-chloro-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(3-chloro-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(3-chloro-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide is CS(=O)(=O)N(CC(=O)NCC1CCCO1)c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chloro-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is PIFKDJPHQHFVKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O4S/c1-22(19,20)17(12-5-2-4-11(15)8-12)10-14(18)16-9-13-6-3-7-21-13/h2,4-5,8,13H,3,6-7,9-10H2,1H3,(H,16,18).
What are the key properties of 2-(3-chloro-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide?
2-(3-chloro-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 346.84 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 3144142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).