3-(3,4-dichloro-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)propanamide

C15H20Cl2N2O4S — CID 113146467

IUPAC3-(3,4-dichloro-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)propanamide
SMILESCS(=O)(=O)N(CCC(=O)NCC1CCCO1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H20Cl2N2O4S/c1-24(21,22)19(11-4-5-13(16)14(17)9-11)7-6-15(20)18-10-12-3-2-8-23-12/h4-5,9,12H,2-3,6-8,10H2,1H3,(H,18,20)
InChIKeyFLQAISJDALPWTM-UHFFFAOYSA-N
MW395.31 g/mol
LogP2.44
Rot. Bonds7

About 3-(3,4-dichloro-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)propanamide

3-(3,4-dichloro-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)propanamide (PubChem CID 113146467) has the molecular formula C15H20Cl2N2O4S and a molecular weight of 395.31 g/mol. Its IUPAC name is 3-(3,4-dichloro-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(3,4-dichloro-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)propanamide
PubChem CID113146467
Molecular FormulaC15H20Cl2N2O4S
Molecular Weight395.31 g/mol
Exact Mass394.05
IUPAC Name3-(3,4-dichloro-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)propanamide
SMILESCS(=O)(=O)N(CCC(=O)NCC1CCCO1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H20Cl2N2O4S/c1-24(21,22)19(11-4-5-13(16)14(17)9-11)7-6-15(20)18-10-12-3-2-8-23-12/h4-5,9,12H,2-3,6-8,10H2,1H3,(H,18,20)
InChIKeyFLQAISJDALPWTM-UHFFFAOYSA-N
XLogP2.44
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.31
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,4-difluoro-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)propanamide
CID 113147211
3-[N-methylsulfonyl-4-(trifluoromethyl)anilino]-N-(oxolan-2-ylmethyl)propanamide
CID 113145283
2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 1143002
3-(2,4-dimethyl-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)propanamide
CID 113142021
4-(3-methyl-N-methylsulfonylanilino)-N-[[(2R)-oxolan-2-yl]methyl]butanamide
CID 40742865
2-(4-chloro-N-methylsulfonylanilino)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 976928
4-(4-methoxy-N-methylsulfonylanilino)-N-[[(2R)-oxolan-2-yl]methyl]butanamide
CID 125052199
2-(3-chloro-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 3144142
N-(oxolan-2-ylmethyl)-3-(2,3,4-trifluoro-N-methylsulfonylanilino)propanamide
CID 113147062
3-(2-methoxy-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)propanamide
CID 113144466
2-(3,4-difluoro-N-methylsulfonylanilino)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 7443283
4-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-[[(2R)-oxolan-2-yl]methyl]butanamide
CID 125059758

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichloro-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)propanamide?
The IUPAC name of 3-(3,4-dichloro-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)propanamide (CID 113146467) is 3-(3,4-dichloro-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)propanamide.
What is the SMILES notation for 3-(3,4-dichloro-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)propanamide?
The canonical SMILES for 3-(3,4-dichloro-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)propanamide is CS(=O)(=O)N(CCC(=O)NCC1CCCO1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3-(3,4-dichloro-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)propanamide?
The InChIKey is FLQAISJDALPWTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N2O4S/c1-24(21,22)19(11-4-5-13(16)14(17)9-11)7-6-15(20)18-10-12-3-2-8-23-12/h4-5,9,12H,2-3,6-8,10H2,1H3,(H,18,20).
What are the key properties of 3-(3,4-dichloro-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)propanamide?
3-(3,4-dichloro-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)propanamide has a molecular weight of 395.31 g/mol, XLogP of 2.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichloro-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)propanamide is sourced from PubChem (CID 113146467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).