N-(4-chlorophenyl)-5-[(3R)-1,1-dioxothiolan-3-yl]sulfonyl-2-fluorobenzamide

C17H15ClFNO5S2 — CID 42364509

IUPACN-(4-chlorophenyl)-5-[(3R)-1,1-dioxothiolan-3-yl]sulfonyl-2-fluorobenzamide
SMILESO=C(Nc1ccc(Cl)cc1)c1cc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)ccc1F
InChIInChI=1S/C17H15ClFNO5S2/c18-11-1-3-12(4-2-11)20-17(21)15-9-13(5-6-16(15)19)27(24,25)14-7-8-26(22,23)10-14/h1-6,9,14H,7-8,10H2,(H,20,21)/t14-/m1/s1
InChIKeyIEQSXGBERDQXLS-CQSZACIVSA-N
MW431.89 g/mol
LogP2.69
Rot. Bonds4

About N-(4-chlorophenyl)-5-[(3R)-1,1-dioxothiolan-3-yl]sulfonyl-2-fluorobenzamide

N-(4-chlorophenyl)-5-[(3R)-1,1-dioxothiolan-3-yl]sulfonyl-2-fluorobenzamide (PubChem CID 42364509) has the molecular formula C17H15ClFNO5S2 and a molecular weight of 431.89 g/mol. Its IUPAC name is N-(4-chlorophenyl)-5-[(3R)-1,1-dioxothiolan-3-yl]sulfonyl-2-fluorobenzamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-5-[(3R)-1,1-dioxothiolan-3-yl]sulfonyl-2-fluorobenzamide
PubChem CID42364509
Molecular FormulaC17H15ClFNO5S2
Molecular Weight431.89 g/mol
Exact Mass431.01
IUPAC NameN-(4-chlorophenyl)-5-[(3R)-1,1-dioxothiolan-3-yl]sulfonyl-2-fluorobenzamide
SMILESO=C(Nc1ccc(Cl)cc1)c1cc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)ccc1F
InChIInChI=1S/C17H15ClFNO5S2/c18-11-1-3-12(4-2-11)20-17(21)15-9-13(5-6-16(15)19)27(24,25)14-7-8-26(22,23)10-14/h1-6,9,14H,7-8,10H2,(H,20,21)/t14-/m1/s1
InChIKeyIEQSXGBERDQXLS-CQSZACIVSA-N
XLogP2.69
TPSA97.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.89
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chlorophenyl)-5-[(3S)-1,1-dioxothiolan-3-yl]sulfonyl-2-fluorobenzamide
CID 42364505
N-tert-butyl-5-[(3R)-1,1-dioxothiolan-3-yl]sulfonyl-2-fluorobenzamide
CID 42364399
5-[(3S)-1,1-dioxothiolan-3-yl]sulfonyl-2-fluoro-N-(2-methoxyphenyl)benzamide
CID 42364516
5-[(3R)-1,1-dioxothiolan-3-yl]sulfonyl-2-fluoro-N-(2-methoxyethyl)benzamide
CID 42364055
5-[(3S)-1,1-dioxothiolan-3-yl]sulfonyl-2-fluoro-N-(2-phenylethyl)benzamide
CID 42364271
5-[(3R)-1,1-dioxothiolan-3-yl]sulfonyl-2-fluoro-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 42364084
4-[(3R)-1,1-dioxothiolan-3-yl]sulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide
CID 42362990
1-[5-[(3S)-1,1-dioxothiolan-3-yl]sulfonyl-2-fluorobenzoyl]piperidine-4-carboxamide
CID 42364347
4-[(3S)-1,1-dioxothiolan-3-yl]sulfonyl-N-(4-methoxyphenyl)benzamide
CID 42362945
3-[(3R)-1,1-dioxothiolan-3-yl]sulfonyl-N-(4-methoxyphenyl)benzamide
CID 42363694
N-(4-chlorophenyl)-2-fluoro-5-(prop-2-enylsulfamoyl)benzamide
CID 4085582
5-(azepan-1-ylsulfonyl)-N-(4-chlorophenyl)-2-fluorobenzamide
CID 4085587

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-5-[(3R)-1,1-dioxothiolan-3-yl]sulfonyl-2-fluorobenzamide?
The IUPAC name of N-(4-chlorophenyl)-5-[(3R)-1,1-dioxothiolan-3-yl]sulfonyl-2-fluorobenzamide (CID 42364509) is N-(4-chlorophenyl)-5-[(3R)-1,1-dioxothiolan-3-yl]sulfonyl-2-fluorobenzamide.
What is the SMILES notation for N-(4-chlorophenyl)-5-[(3R)-1,1-dioxothiolan-3-yl]sulfonyl-2-fluorobenzamide?
The canonical SMILES for N-(4-chlorophenyl)-5-[(3R)-1,1-dioxothiolan-3-yl]sulfonyl-2-fluorobenzamide is O=C(Nc1ccc(Cl)cc1)c1cc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)ccc1F.
What is the InChIKey of N-(4-chlorophenyl)-5-[(3R)-1,1-dioxothiolan-3-yl]sulfonyl-2-fluorobenzamide?
The InChIKey is IEQSXGBERDQXLS-CQSZACIVSA-N. The full InChI is InChI=1S/C17H15ClFNO5S2/c18-11-1-3-12(4-2-11)20-17(21)15-9-13(5-6-16(15)19)27(24,25)14-7-8-26(22,23)10-14/h1-6,9,14H,7-8,10H2,(H,20,21)/t14-/m1/s1.
What are the key properties of N-(4-chlorophenyl)-5-[(3R)-1,1-dioxothiolan-3-yl]sulfonyl-2-fluorobenzamide?
N-(4-chlorophenyl)-5-[(3R)-1,1-dioxothiolan-3-yl]sulfonyl-2-fluorobenzamide has a molecular weight of 431.89 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-5-[(3R)-1,1-dioxothiolan-3-yl]sulfonyl-2-fluorobenzamide is sourced from PubChem (CID 42364509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).