N-(4-chlorophenyl)-N-[(3S)-1,1-dioxothiolan-3-yl]benzamide

C17H16ClNO3S — CID 7116277

IUPACN-(4-chlorophenyl)-N-[(3S)-1,1-dioxothiolan-3-yl]benzamide
SMILESO=C(c1ccccc1)N(c1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C17H16ClNO3S/c18-14-6-8-15(9-7-14)19(16-10-11-23(21,22)12-16)17(20)13-4-2-1-3-5-13/h1-9,16H,10-12H2/t16-/m0/s1
InChIKeyMQXUUHIUTONJSA-INIZCTEOSA-N
MW349.84 g/mol
LogP3.17
Rot. Bonds3

About N-(4-chlorophenyl)-N-[(3S)-1,1-dioxothiolan-3-yl]benzamide

N-(4-chlorophenyl)-N-[(3S)-1,1-dioxothiolan-3-yl]benzamide (PubChem CID 7116277) has the molecular formula C17H16ClNO3S and a molecular weight of 349.84 g/mol. Its IUPAC name is N-(4-chlorophenyl)-N-[(3S)-1,1-dioxothiolan-3-yl]benzamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-N-[(3S)-1,1-dioxothiolan-3-yl]benzamide
PubChem CID7116277
Molecular FormulaC17H16ClNO3S
Molecular Weight349.84 g/mol
Exact Mass349.05
IUPAC NameN-(4-chlorophenyl)-N-[(3S)-1,1-dioxothiolan-3-yl]benzamide
SMILESO=C(c1ccccc1)N(c1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C17H16ClNO3S/c18-14-6-8-15(9-7-14)19(16-10-11-23(21,22)12-16)17(20)13-4-2-1-3-5-13/h1-9,16H,10-12H2/t16-/m0/s1
InChIKeyMQXUUHIUTONJSA-INIZCTEOSA-N
XLogP3.17
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.84
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-(1,1-dioxothiolan-3-yl)-N-(4-methylphenyl)benzamide
CID 21179672
N-(3,4-dimethylphenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide
CID 7115982
N-(4-chlorophenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 7116274
N-[(4-chlorophenyl)methyl]-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide
CID 7588591
N-(3-chloro-2-methylphenyl)-N-(1,1-dioxothiolan-3-yl)benzamide
CID 5084050
4-chloro-N-(2,5-dichlorophenyl)-N-(1,1-dioxothiolan-3-yl)benzamide
CID 102566612
2-(4-chlorophenoxy)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-phenylacetamide
CID 7816188
4-chloro-N-[2-[(4-chlorobenzoyl)-(1,1-dioxothiolan-3-yl)amino]ethyl]-N-(1,1-dioxothiolan-3-yl)benzamide
CID 102566638
2-[(4-chlorophenyl)methyl-methylamino]-N-[(3S)-1,1-dioxothiolan-3-yl]-N-phenylacetamide
CID 8540396
2-(4-chloro-N-(1,1-dioxothiolan-3-yl)anilino)acetic acid
CID 60834017
N-tert-butyl-4-chloro-N-(1,1-dioxothiolan-3-yl)benzamide
CID 102566622
N-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)benzenesulfonamide
CID 21206461

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-N-[(3S)-1,1-dioxothiolan-3-yl]benzamide?
The IUPAC name of N-(4-chlorophenyl)-N-[(3S)-1,1-dioxothiolan-3-yl]benzamide (CID 7116277) is N-(4-chlorophenyl)-N-[(3S)-1,1-dioxothiolan-3-yl]benzamide.
What is the SMILES notation for N-(4-chlorophenyl)-N-[(3S)-1,1-dioxothiolan-3-yl]benzamide?
The canonical SMILES for N-(4-chlorophenyl)-N-[(3S)-1,1-dioxothiolan-3-yl]benzamide is O=C(c1ccccc1)N(c1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1.
What is the InChIKey of N-(4-chlorophenyl)-N-[(3S)-1,1-dioxothiolan-3-yl]benzamide?
The InChIKey is MQXUUHIUTONJSA-INIZCTEOSA-N. The full InChI is InChI=1S/C17H16ClNO3S/c18-14-6-8-15(9-7-14)19(16-10-11-23(21,22)12-16)17(20)13-4-2-1-3-5-13/h1-9,16H,10-12H2/t16-/m0/s1.
What are the key properties of N-(4-chlorophenyl)-N-[(3S)-1,1-dioxothiolan-3-yl]benzamide?
N-(4-chlorophenyl)-N-[(3S)-1,1-dioxothiolan-3-yl]benzamide has a molecular weight of 349.84 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-N-[(3S)-1,1-dioxothiolan-3-yl]benzamide is sourced from PubChem (CID 7116277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).