2-(2,4-dichloro-N-methylsulfonylanilino)-N-[[(2S)-oxolan-2-yl]methyl]acetamide

C14H18Cl2N2O4S — CID 2235690

IUPAC2-(2,4-dichloro-N-methylsulfonylanilino)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
SMILESCS(=O)(=O)N(CC(=O)NC[C@@H]1CCCO1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H18Cl2N2O4S/c1-23(20,21)18(13-5-4-10(15)7-12(13)16)9-14(19)17-8-11-3-2-6-22-11/h4-5,7,11H,2-3,6,8-9H2,1H3,(H,17,19)/t11-/m0/s1
InChIKeyUQBGQDPCIRYTIK-NSHDSACASA-N
MW381.28 g/mol
LogP2.05
Rot. Bonds6

About 2-(2,4-dichloro-N-methylsulfonylanilino)-N-[[(2S)-oxolan-2-yl]methyl]acetamide

2-(2,4-dichloro-N-methylsulfonylanilino)-N-[[(2S)-oxolan-2-yl]methyl]acetamide (PubChem CID 2235690) has the molecular formula C14H18Cl2N2O4S and a molecular weight of 381.28 g/mol. Its IUPAC name is 2-(2,4-dichloro-N-methylsulfonylanilino)-N-[[(2S)-oxolan-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dichloro-N-methylsulfonylanilino)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
PubChem CID2235690
Molecular FormulaC14H18Cl2N2O4S
Molecular Weight381.28 g/mol
Exact Mass380.04
IUPAC Name2-(2,4-dichloro-N-methylsulfonylanilino)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
SMILESCS(=O)(=O)N(CC(=O)NC[C@@H]1CCCO1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H18Cl2N2O4S/c1-23(20,21)18(13-5-4-10(15)7-12(13)16)9-14(19)17-8-11-3-2-6-22-11/h4-5,7,11H,2-3,6,8-9H2,1H3,(H,17,19)/t11-/m0/s1
InChIKeyUQBGQDPCIRYTIK-NSHDSACASA-N
XLogP2.05
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.28
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 1135711
2-(4-chloro-N-methylsulfonylanilino)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 976928
2-(3-chloro-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 3144142
2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-(oxolan-2-ylmethyl)acetamide
CID 2912776
2-(2-chloro-4,6-dimethyl-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 113155010
2-(3,4-difluoro-N-methylsulfonylanilino)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 7443283
2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 2223143
2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 1143002
2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 3984975
2-(4-bromo-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 3252615
2-(2-methyl-N-methylsulfonyl-5-nitroanilino)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 2199589
2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]-methylamino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 51934800

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichloro-N-methylsulfonylanilino)-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The IUPAC name of 2-(2,4-dichloro-N-methylsulfonylanilino)-N-[[(2S)-oxolan-2-yl]methyl]acetamide (CID 2235690) is 2-(2,4-dichloro-N-methylsulfonylanilino)-N-[[(2S)-oxolan-2-yl]methyl]acetamide.
What is the SMILES notation for 2-(2,4-dichloro-N-methylsulfonylanilino)-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The canonical SMILES for 2-(2,4-dichloro-N-methylsulfonylanilino)-N-[[(2S)-oxolan-2-yl]methyl]acetamide is CS(=O)(=O)N(CC(=O)NC[C@@H]1CCCO1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichloro-N-methylsulfonylanilino)-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The InChIKey is UQBGQDPCIRYTIK-NSHDSACASA-N. The full InChI is InChI=1S/C14H18Cl2N2O4S/c1-23(20,21)18(13-5-4-10(15)7-12(13)16)9-14(19)17-8-11-3-2-6-22-11/h4-5,7,11H,2-3,6,8-9H2,1H3,(H,17,19)/t11-/m0/s1.
What are the key properties of 2-(2,4-dichloro-N-methylsulfonylanilino)-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
2-(2,4-dichloro-N-methylsulfonylanilino)-N-[[(2S)-oxolan-2-yl]methyl]acetamide has a molecular weight of 381.28 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichloro-N-methylsulfonylanilino)-N-[[(2S)-oxolan-2-yl]methyl]acetamide is sourced from PubChem (CID 2235690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).