3,5-dichloro-4-methoxy-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]benzamide

C13H15Cl2NO4S — CID 51924106

IUPAC3,5-dichloro-4-methoxy-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]benzamide
SMILESCOc1c(Cl)cc(C(=O)N[C@@]2(C)CCS(=O)(=O)C2)cc1Cl
InChIInChI=1S/C13H15Cl2NO4S/c1-13(3-4-21(18,19)7-13)16-12(17)8-5-9(14)11(20-2)10(15)6-8/h5-6H,3-4,7H2,1-2H3,(H,16,17)/t13-/m0/s1
InChIKeyJOZXQDHEZMKRGH-ZDUSSCGKSA-N
MW352.24 g/mol
LogP2.31
Rot. Bonds3

About 3,5-dichloro-4-methoxy-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]benzamide

3,5-dichloro-4-methoxy-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]benzamide (PubChem CID 51924106) has the molecular formula C13H15Cl2NO4S and a molecular weight of 352.24 g/mol. Its IUPAC name is 3,5-dichloro-4-methoxy-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]benzamide.

Molecular Properties

Compound Name3,5-dichloro-4-methoxy-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]benzamide
PubChem CID51924106
Molecular FormulaC13H15Cl2NO4S
Molecular Weight352.24 g/mol
Exact Mass351.01
IUPAC Name3,5-dichloro-4-methoxy-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]benzamide
SMILESCOc1c(Cl)cc(C(=O)N[C@@]2(C)CCS(=O)(=O)C2)cc1Cl
InChIInChI=1S/C13H15Cl2NO4S/c1-13(3-4-21(18,19)7-13)16-12(17)8-5-9(14)11(20-2)10(15)6-8/h5-6H,3-4,7H2,1-2H3,(H,16,17)/t13-/m0/s1
InChIKeyJOZXQDHEZMKRGH-ZDUSSCGKSA-N
XLogP2.31
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.24
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methyl-1,1-dioxothiolan-3-yl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 18081197
2,6-dibromo-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-4-carboxamide
CID 140870093
4-hydroxy-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide
CID 60716553
3-hydroxy-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide
CID 60718307
4-(methoxymethyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide
CID 43020389
2-N,4-N-bis(3-methyl-1,1-dioxothiolan-3-yl)thiophene-2,4-dicarboxamide
CID 166181280
5-hydroxy-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-3-carboxamide
CID 63859452
4-hydroxy-3-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide
CID 103951728
4-bromo-2-methoxy-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide
CID 78987530
5-chloro-N-(3-methyl-1,1-dioxothiolan-3-yl)furan-2-carboxamide
CID 51183630
3,5-dichloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-methoxybenzamide
CID 115362194
3,5-dichloro-N-[(1-hydroxycyclohexyl)methyl]-4-methoxybenzamide
CID 64866551

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-methoxy-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]benzamide?
The IUPAC name of 3,5-dichloro-4-methoxy-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]benzamide (CID 51924106) is 3,5-dichloro-4-methoxy-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]benzamide.
What is the SMILES notation for 3,5-dichloro-4-methoxy-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]benzamide?
The canonical SMILES for 3,5-dichloro-4-methoxy-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]benzamide is COc1c(Cl)cc(C(=O)N[C@@]2(C)CCS(=O)(=O)C2)cc1Cl.
What is the InChIKey of 3,5-dichloro-4-methoxy-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]benzamide?
The InChIKey is JOZXQDHEZMKRGH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H15Cl2NO4S/c1-13(3-4-21(18,19)7-13)16-12(17)8-5-9(14)11(20-2)10(15)6-8/h5-6H,3-4,7H2,1-2H3,(H,16,17)/t13-/m0/s1.
What are the key properties of 3,5-dichloro-4-methoxy-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]benzamide?
3,5-dichloro-4-methoxy-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]benzamide has a molecular weight of 352.24 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-methoxy-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]benzamide is sourced from PubChem (CID 51924106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).