3-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]benzamide

C11H12ClNO3S — CID 7259712

IUPAC3-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]benzamide
SMILESO=C(N[C@H]1CCS(=O)(=O)C1)c1cccc(Cl)c1
InChIInChI=1S/C11H12ClNO3S/c12-9-3-1-2-8(6-9)11(14)13-10-4-5-17(15,16)7-10/h1-3,6,10H,4-5,7H2,(H,13,14)/t10-/m0/s1
InChIKeyLZMLIMWLBRIHHD-JTQLQIEISA-N
MW273.74 g/mol
LogP1.26
Rot. Bonds2

About 3-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]benzamide

3-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]benzamide (PubChem CID 7259712) has the molecular formula C11H12ClNO3S and a molecular weight of 273.74 g/mol. Its IUPAC name is 3-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]benzamide
PubChem CID7259712
Molecular FormulaC11H12ClNO3S
Molecular Weight273.74 g/mol
Exact Mass273.02
IUPAC Name3-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]benzamide
SMILESO=C(N[C@H]1CCS(=O)(=O)C1)c1cccc(Cl)c1
InChIInChI=1S/C11H12ClNO3S/c12-9-3-1-2-8(6-9)11(14)13-10-4-5-17(15,16)7-10/h1-3,6,10H,4-5,7H2,(H,13,14)/t10-/m0/s1
InChIKeyLZMLIMWLBRIHHD-JTQLQIEISA-N
XLogP1.26
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.74
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(chloromethyl)-N-(1,1-dioxothiolan-3-yl)benzamide
CID 43156321
3-chloro-N-[4-[(1,1-dioxothiolan-3-yl)amino]phenyl]benzamide
CID 112983803
N-[(3R)-1,1-dioxothiolan-3-yl]benzamide
CID 40634625
3-(dimethylamino)-N-(1,1-dioxothiolan-3-yl)benzamide
CID 51240308
3-N-(1,1-dioxothiolan-3-yl)-1-N-pentylbenzene-1,3-dicarboxamide
CID 109055570
3-bromo-5-chloro-N-(1,1-dioxothiolan-3-yl)benzamide
CID 110411834
N-[(3S)-1,1-dioxothiolan-3-yl]-3-(3-methylphenyl)benzamide
CID 95741050
2,5-dichloro-N-[(3S)-1,1-dioxothiolan-3-yl]benzamide
CID 7259782
3-chloro-N-[(1,1-dioxothiolan-3-yl)methyl]benzamide
CID 47156867
N-[(3S)-1,1-dioxothiolan-3-yl]-4-(2-oxo-2-phenylacetyl)benzamide
CID 7346492
3-(difluoromethoxy)-N-(1,1-dioxothiolan-3-yl)benzamide
CID 18109657
2,4-dichloro-N-[(3S)-1,1-dioxothiolan-3-yl]benzamide
CID 7090741

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]benzamide?
The IUPAC name of 3-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]benzamide (CID 7259712) is 3-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]benzamide.
What is the SMILES notation for 3-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]benzamide?
The canonical SMILES for 3-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]benzamide is O=C(N[C@H]1CCS(=O)(=O)C1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]benzamide?
The InChIKey is LZMLIMWLBRIHHD-JTQLQIEISA-N. The full InChI is InChI=1S/C11H12ClNO3S/c12-9-3-1-2-8(6-9)11(14)13-10-4-5-17(15,16)7-10/h1-3,6,10H,4-5,7H2,(H,13,14)/t10-/m0/s1.
What are the key properties of 3-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]benzamide?
3-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]benzamide has a molecular weight of 273.74 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]benzamide is sourced from PubChem (CID 7259712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).