4-chloro-N-[(2R)-2-phenyl-2-(4-phenyltriazol-1-yl)ethyl]benzenesulfonamide

C22H19ClN4O2S — CID 992047

IUPAC4-chloro-N-[(2R)-2-phenyl-2-(4-phenyltriazol-1-yl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NC[C@@H](c1ccccc1)n1cc(-c2ccccc2)nn1)c1ccc(Cl)cc1
InChIInChI=1S/C22H19ClN4O2S/c23-19-11-13-20(14-12-19)30(28,29)24-15-22(18-9-5-2-6-10-18)27-16-21(25-26-27)17-7-3-1-4-8-17/h1-14,16,22,24H,15H2/t22-/m0/s1
InChIKeyUBRQZWHHLVSYLB-QFIPXVFZSA-N
MW438.94 g/mol
LogP4.17
Rot. Bonds7

About 4-chloro-N-[(2R)-2-phenyl-2-(4-phenyltriazol-1-yl)ethyl]benzenesulfonamide

4-chloro-N-[(2R)-2-phenyl-2-(4-phenyltriazol-1-yl)ethyl]benzenesulfonamide (PubChem CID 992047) has the molecular formula C22H19ClN4O2S and a molecular weight of 438.94 g/mol. Its IUPAC name is 4-chloro-N-[(2R)-2-phenyl-2-(4-phenyltriazol-1-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[(2R)-2-phenyl-2-(4-phenyltriazol-1-yl)ethyl]benzenesulfonamide
PubChem CID992047
Molecular FormulaC22H19ClN4O2S
Molecular Weight438.94 g/mol
Exact Mass438.09
IUPAC Name4-chloro-N-[(2R)-2-phenyl-2-(4-phenyltriazol-1-yl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NC[C@@H](c1ccccc1)n1cc(-c2ccccc2)nn1)c1ccc(Cl)cc1
InChIInChI=1S/C22H19ClN4O2S/c23-19-11-13-20(14-12-19)30(28,29)24-15-22(18-9-5-2-6-10-18)27-16-21(25-26-27)17-7-3-1-4-8-17/h1-14,16,22,24H,15H2/t22-/m0/s1
InChIKeyUBRQZWHHLVSYLB-QFIPXVFZSA-N
XLogP4.17
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.94
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[(2S)-2-[4-[(1S)-2-[(4-chlorophenyl)sulfonylamino]-1-phenylethyl]piperazin-1-yl]-2-phenylethyl]benzenesulfonamide
CID 7067570
4-(4-chlorophenyl)-N-(2-imidazol-1-yl-2-phenylethyl)benzenesulfonamide
CID 10173558
4-chloro-N-[(2R)-2-(4-ethylpiperazin-1-yl)-2-phenylethyl]benzenesulfonamide
CID 92669850
4-chloro-N-[(2S)-2-(diethylamino)-2-phenylethyl]benzenesulfonamide
CID 2198405
4-chloro-N-[(2R)-2-(diethylamino)-2-phenylethyl]benzenesulfonamide
CID 2198403
4-chloro-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]benzenesulfonamide
CID 27564854
4-chloro-N-[2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]benzenesulfonamide
CID 16806780
4-chloro-N-[(2R)-2-phenyl-2-(2-phenylhydrazinyl)ethyl]benzenesulfonamide
CID 51567307
4-chloro-N-[(2R)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-phenylethyl]benzenesulfonamide
CID 2345300
4-chloro-N-[(1,3-diphenylpyrazol-4-yl)methyl]benzenesulfonamide
CID 19577912
4-chloro-N-[2-(4-methylphenyl)sulfanyl-2-phenylethyl]benzenesulfonamide
CID 4544366
4-chloro-N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(dimethylamino)phenyl]ethyl]benzenesulfonamide
CID 27420650

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(2R)-2-phenyl-2-(4-phenyltriazol-1-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[(2R)-2-phenyl-2-(4-phenyltriazol-1-yl)ethyl]benzenesulfonamide (CID 992047) is 4-chloro-N-[(2R)-2-phenyl-2-(4-phenyltriazol-1-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[(2R)-2-phenyl-2-(4-phenyltriazol-1-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[(2R)-2-phenyl-2-(4-phenyltriazol-1-yl)ethyl]benzenesulfonamide is O=S(=O)(NC[C@@H](c1ccccc1)n1cc(-c2ccccc2)nn1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[(2R)-2-phenyl-2-(4-phenyltriazol-1-yl)ethyl]benzenesulfonamide?
The InChIKey is UBRQZWHHLVSYLB-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H19ClN4O2S/c23-19-11-13-20(14-12-19)30(28,29)24-15-22(18-9-5-2-6-10-18)27-16-21(25-26-27)17-7-3-1-4-8-17/h1-14,16,22,24H,15H2/t22-/m0/s1.
What are the key properties of 4-chloro-N-[(2R)-2-phenyl-2-(4-phenyltriazol-1-yl)ethyl]benzenesulfonamide?
4-chloro-N-[(2R)-2-phenyl-2-(4-phenyltriazol-1-yl)ethyl]benzenesulfonamide has a molecular weight of 438.94 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(2R)-2-phenyl-2-(4-phenyltriazol-1-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 992047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).