2-chloro-N-[(2R)-2-phenyl-2-thiophen-2-ylsulfonylethyl]benzenesulfonamide

C18H16ClNO4S3 — CID 51662811

IUPAC2-chloro-N-[(2R)-2-phenyl-2-thiophen-2-ylsulfonylethyl]benzenesulfonamide
SMILESO=S(=O)(NC[C@@H](c1ccccc1)S(=O)(=O)c1cccs1)c1ccccc1Cl
InChIInChI=1S/C18H16ClNO4S3/c19-15-9-4-5-10-16(15)27(23,24)20-13-17(14-7-2-1-3-8-14)26(21,22)18-11-6-12-25-18/h1-12,17,20H,13H2/t17-/m0/s1
InChIKeyRETIAWOUEUODNZ-KRWDZBQOSA-N
MW441.98 g/mol
LogP3.89
Rot. Bonds7

About 2-chloro-N-[(2R)-2-phenyl-2-thiophen-2-ylsulfonylethyl]benzenesulfonamide

2-chloro-N-[(2R)-2-phenyl-2-thiophen-2-ylsulfonylethyl]benzenesulfonamide (PubChem CID 51662811) has the molecular formula C18H16ClNO4S3 and a molecular weight of 441.98 g/mol. Its IUPAC name is 2-chloro-N-[(2R)-2-phenyl-2-thiophen-2-ylsulfonylethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[(2R)-2-phenyl-2-thiophen-2-ylsulfonylethyl]benzenesulfonamide
PubChem CID51662811
Molecular FormulaC18H16ClNO4S3
Molecular Weight441.98 g/mol
Exact Mass440.99
IUPAC Name2-chloro-N-[(2R)-2-phenyl-2-thiophen-2-ylsulfonylethyl]benzenesulfonamide
SMILESO=S(=O)(NC[C@@H](c1ccccc1)S(=O)(=O)c1cccs1)c1ccccc1Cl
InChIInChI=1S/C18H16ClNO4S3/c19-15-9-4-5-10-16(15)27(23,24)20-13-17(14-7-2-1-3-8-14)26(21,22)18-11-6-12-25-18/h1-12,17,20H,13H2/t17-/m0/s1
InChIKeyRETIAWOUEUODNZ-KRWDZBQOSA-N
XLogP3.89
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.98
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-tert-butyl-N-[(2R)-2-phenyl-2-thiophen-2-ylsulfonylethyl]benzenesulfonamide
CID 51662803
4-fluoro-2-methyl-N-(2-phenyl-2-thiophen-2-ylsulfonylethyl)benzenesulfonamide
CID 44648994
N-(ethylsulfamoyl)-2-phenyl-2-thiophen-2-ylsulfonylethanamine
CID 110605719
3,4-dimethoxy-N-[(2S)-2-phenyl-2-thiophen-2-ylsulfonylethyl]benzenesulfonamide
CID 51453352
N-[(2S)-2-phenyl-2-thiophen-2-ylsulfonylethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 51662774
N-(2-phenyl-2-thiophen-2-ylsulfonylethyl)benzamide
CID 44649043
N-(2,2-diphenylethyl)thiophene-2-sulfonamide
CID 4994922
4-cyclopentyloxy-N-[(2R)-2-phenyl-2-thiophen-2-ylsulfonylethyl]benzenesulfonamide
CID 51662791
3-chloro-N-[(2S)-2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]benzenesulfonamide
CID 51449272
2-chloro-N-[2-(furan-2-yl)-2-thiophen-2-ylethyl]benzenesulfonamide
CID 126850420
(2S)-3-[(2-chlorophenyl)sulfonylamino]-2-hydroxypropanoic acid
CID 104935868
3-chloro-N-[(2R)-2-phenyl-2-thiophen-2-ylsulfonylethyl]benzamide
CID 9169004

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2R)-2-phenyl-2-thiophen-2-ylsulfonylethyl]benzenesulfonamide?
The IUPAC name of 2-chloro-N-[(2R)-2-phenyl-2-thiophen-2-ylsulfonylethyl]benzenesulfonamide (CID 51662811) is 2-chloro-N-[(2R)-2-phenyl-2-thiophen-2-ylsulfonylethyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[(2R)-2-phenyl-2-thiophen-2-ylsulfonylethyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-N-[(2R)-2-phenyl-2-thiophen-2-ylsulfonylethyl]benzenesulfonamide is O=S(=O)(NC[C@@H](c1ccccc1)S(=O)(=O)c1cccs1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[(2R)-2-phenyl-2-thiophen-2-ylsulfonylethyl]benzenesulfonamide?
The InChIKey is RETIAWOUEUODNZ-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H16ClNO4S3/c19-15-9-4-5-10-16(15)27(23,24)20-13-17(14-7-2-1-3-8-14)26(21,22)18-11-6-12-25-18/h1-12,17,20H,13H2/t17-/m0/s1.
What are the key properties of 2-chloro-N-[(2R)-2-phenyl-2-thiophen-2-ylsulfonylethyl]benzenesulfonamide?
2-chloro-N-[(2R)-2-phenyl-2-thiophen-2-ylsulfonylethyl]benzenesulfonamide has a molecular weight of 441.98 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2R)-2-phenyl-2-thiophen-2-ylsulfonylethyl]benzenesulfonamide is sourced from PubChem (CID 51662811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).