N-[(2R)-2-anilino-2-(2-chlorophenyl)ethyl]-4-methylbenzenesulfonamide

C21H21ClN2O2S — CID 71663028

IUPACN-[(2R)-2-anilino-2-(2-chlorophenyl)ethyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC[C@H](Nc2ccccc2)c2ccccc2Cl)cc1
InChIInChI=1S/C21H21ClN2O2S/c1-16-11-13-18(14-12-16)27(25,26)23-15-21(19-9-5-6-10-20(19)22)24-17-7-3-2-4-8-17/h2-14,21,23-24H,15H2,1H3/t21-/m0/s1
InChIKeyQZTSIZAAAYCQNC-NRFANRHFSA-N
MW400.93 g/mol
LogP4.78
Rot. Bonds7

About N-[(2R)-2-anilino-2-(2-chlorophenyl)ethyl]-4-methylbenzenesulfonamide

N-[(2R)-2-anilino-2-(2-chlorophenyl)ethyl]-4-methylbenzenesulfonamide (PubChem CID 71663028) has the molecular formula C21H21ClN2O2S and a molecular weight of 400.93 g/mol. Its IUPAC name is N-[(2R)-2-anilino-2-(2-chlorophenyl)ethyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2R)-2-anilino-2-(2-chlorophenyl)ethyl]-4-methylbenzenesulfonamide
PubChem CID71663028
Molecular FormulaC21H21ClN2O2S
Molecular Weight400.93 g/mol
Exact Mass400.10
IUPAC NameN-[(2R)-2-anilino-2-(2-chlorophenyl)ethyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC[C@H](Nc2ccccc2)c2ccccc2Cl)cc1
InChIInChI=1S/C21H21ClN2O2S/c1-16-11-13-18(14-12-16)27(25,26)23-15-21(19-9-5-6-10-20(19)22)24-17-7-3-2-4-8-17/h2-14,21,23-24H,15H2,1H3/t21-/m0/s1
InChIKeyQZTSIZAAAYCQNC-NRFANRHFSA-N
XLogP4.78
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.93
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-chloroanilino)-2-(4-chlorophenyl)ethyl]-4-methylbenzenesulfonamide
CID 51356051
N-(2-chloro-2-phenylethyl)-4-methylbenzenesulfonamide
CID 11220593
N-[4-[[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]sulfamoyl]phenyl]acetamide
CID 51710904
N-[4-[[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]sulfamoyl]phenyl]acetamide
CID 51710902
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-4-methylbenzenesulfonamide
CID 975376
N-[2-methoxy-2-(2-methylphenyl)ethyl]-4-methylbenzenesulfonamide
CID 90598840
4-methyl-N-(2-phenyl-2-phenylselanylethyl)benzenesulfonamide
CID 86197769
N-[(4-methylphenyl)sulfonylmethyl]benzenesulfonamide
CID 23452751
4-chloro-N-[(2R)-2-phenyl-2-(2-phenylhydrazinyl)ethyl]benzenesulfonamide
CID 51567307
N-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-4-methylbenzenesulfonamide
CID 1318754
methyl N-[4-[[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]sulfamoyl]phenyl]carbamate
CID 99876233
4-chloro-N-[2-(4-methylphenyl)sulfanyl-2-phenylethyl]benzenesulfonamide
CID 4544366

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-anilino-2-(2-chlorophenyl)ethyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(2R)-2-anilino-2-(2-chlorophenyl)ethyl]-4-methylbenzenesulfonamide (CID 71663028) is N-[(2R)-2-anilino-2-(2-chlorophenyl)ethyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(2R)-2-anilino-2-(2-chlorophenyl)ethyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(2R)-2-anilino-2-(2-chlorophenyl)ethyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NC[C@H](Nc2ccccc2)c2ccccc2Cl)cc1.
What is the InChIKey of N-[(2R)-2-anilino-2-(2-chlorophenyl)ethyl]-4-methylbenzenesulfonamide?
The InChIKey is QZTSIZAAAYCQNC-NRFANRHFSA-N. The full InChI is InChI=1S/C21H21ClN2O2S/c1-16-11-13-18(14-12-16)27(25,26)23-15-21(19-9-5-6-10-20(19)22)24-17-7-3-2-4-8-17/h2-14,21,23-24H,15H2,1H3/t21-/m0/s1.
What are the key properties of N-[(2R)-2-anilino-2-(2-chlorophenyl)ethyl]-4-methylbenzenesulfonamide?
N-[(2R)-2-anilino-2-(2-chlorophenyl)ethyl]-4-methylbenzenesulfonamide has a molecular weight of 400.93 g/mol, XLogP of 4.78, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-anilino-2-(2-chlorophenyl)ethyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 71663028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).