3-chloro-N-[(2R)-2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]benzamide

C19H15ClFNO4S — CID 7268254

IUPAC3-chloro-N-[(2R)-2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]benzamide
SMILESO=C(NC[C@H](c1ccco1)S(=O)(=O)c1ccc(F)cc1)c1cccc(Cl)c1
InChIInChI=1S/C19H15ClFNO4S/c20-14-4-1-3-13(11-14)19(23)22-12-18(17-5-2-10-26-17)27(24,25)16-8-6-15(21)7-9-16/h1-11,18H,12H2,(H,22,23)/t18-/m1/s1
InChIKeyNQAVOMFAQAJVLD-GOSISDBHSA-N
MW407.85 g/mol
LogP4.02
Rot. Bonds6

About 3-chloro-N-[(2R)-2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]benzamide

3-chloro-N-[(2R)-2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]benzamide (PubChem CID 7268254) has the molecular formula C19H15ClFNO4S and a molecular weight of 407.85 g/mol. Its IUPAC name is 3-chloro-N-[(2R)-2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[(2R)-2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]benzamide
PubChem CID7268254
Molecular FormulaC19H15ClFNO4S
Molecular Weight407.85 g/mol
Exact Mass407.04
IUPAC Name3-chloro-N-[(2R)-2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]benzamide
SMILESO=C(NC[C@H](c1ccco1)S(=O)(=O)c1ccc(F)cc1)c1cccc(Cl)c1
InChIInChI=1S/C19H15ClFNO4S/c20-14-4-1-3-13(11-14)19(23)22-12-18(17-5-2-10-26-17)27(24,25)16-8-6-15(21)7-9-16/h1-11,18H,12H2,(H,22,23)/t18-/m1/s1
InChIKeyNQAVOMFAQAJVLD-GOSISDBHSA-N
XLogP4.02
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.85
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[(2S)-2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]benzamide
CID 7268253
4-chloro-N-[2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]benzamide
CID 22584561
4-fluoro-N-[(2S)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]benzamide
CID 7268088
N-[(2R)-2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-4-methylbenzamide
CID 7268289
N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-4-(trifluoromethyl)benzamide
CID 40774983
N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-(furan-2-yl)ethyl]benzamide
CID 20962937
N-[(4-chlorophenyl)methyl]-N'-[(2S)-2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]oxamide
CID 27555078
N-[(2R)-2-(4-fluoro-3-methylphenyl)sulfonyl-2-(furan-2-yl)ethyl]benzamide
CID 26792820
N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-4-nitrobenzamide
CID 26842848
N-[(4-fluorophenyl)methyl]-N'-[(2R)-2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]oxamide
CID 27555084
N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-4-fluorobenzenesulfonamide
CID 41193089
N-[(2S)-2-(furan-2-yl)-2-(4-propan-2-ylphenyl)sulfonylethyl]-3,4-dimethylbenzamide
CID 9161587

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(2R)-2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]benzamide?
The IUPAC name of 3-chloro-N-[(2R)-2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]benzamide (CID 7268254) is 3-chloro-N-[(2R)-2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]benzamide.
What is the SMILES notation for 3-chloro-N-[(2R)-2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]benzamide?
The canonical SMILES for 3-chloro-N-[(2R)-2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]benzamide is O=C(NC[C@H](c1ccco1)S(=O)(=O)c1ccc(F)cc1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[(2R)-2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]benzamide?
The InChIKey is NQAVOMFAQAJVLD-GOSISDBHSA-N. The full InChI is InChI=1S/C19H15ClFNO4S/c20-14-4-1-3-13(11-14)19(23)22-12-18(17-5-2-10-26-17)27(24,25)16-8-6-15(21)7-9-16/h1-11,18H,12H2,(H,22,23)/t18-/m1/s1.
What are the key properties of 3-chloro-N-[(2R)-2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]benzamide?
3-chloro-N-[(2R)-2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]benzamide has a molecular weight of 407.85 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(2R)-2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]benzamide is sourced from PubChem (CID 7268254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).