N-[(2R)-2-(dimethylamino)-2-phenylethyl]-4-methylbenzenesulfonamide

C17H22N2O2S — CID 975376

IUPACN-[(2R)-2-(dimethylamino)-2-phenylethyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC[C@@H](c2ccccc2)N(C)C)cc1
InChIInChI=1S/C17H22N2O2S/c1-14-9-11-16(12-10-14)22(20,21)18-13-17(19(2)3)15-7-5-4-6-8-15/h4-12,17-18H,13H2,1-3H3/t17-/m0/s1
InChIKeyUSBPDOSMXKHOEH-KRWDZBQOSA-N
MW318.44 g/mol
LogP2.58
Rot. Bonds6

About N-[(2R)-2-(dimethylamino)-2-phenylethyl]-4-methylbenzenesulfonamide

N-[(2R)-2-(dimethylamino)-2-phenylethyl]-4-methylbenzenesulfonamide (PubChem CID 975376) has the molecular formula C17H22N2O2S and a molecular weight of 318.44 g/mol. Its IUPAC name is N-[(2R)-2-(dimethylamino)-2-phenylethyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2R)-2-(dimethylamino)-2-phenylethyl]-4-methylbenzenesulfonamide
PubChem CID975376
Molecular FormulaC17H22N2O2S
Molecular Weight318.44 g/mol
Exact Mass318.14
IUPAC NameN-[(2R)-2-(dimethylamino)-2-phenylethyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC[C@@H](c2ccccc2)N(C)C)cc1
InChIInChI=1S/C17H22N2O2S/c1-14-9-11-16(12-10-14)22(20,21)18-13-17(19(2)3)15-7-5-4-6-8-15/h4-12,17-18H,13H2,1-3H3/t17-/m0/s1
InChIKeyUSBPDOSMXKHOEH-KRWDZBQOSA-N
XLogP2.58
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-4-propan-2-ylbenzenesulfonamide
CID 45003216
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-methylbenzenesulfonamide
CID 47006075
4-acetyl-N-[2-(dimethylamino)-2-phenylethyl]benzenesulfonamide
CID 4883799
4-cyano-N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]benzenesulfonamide
CID 60602522
N-(2-chloro-2-phenylethyl)-4-methylbenzenesulfonamide
CID 11220593
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]benzenesulfonamide
CID 51169696
6-chloro-N-[2-(dimethylamino)-2-phenylethyl]pyridine-3-sulfonamide
CID 110301918
N-[2-phenyl-2-(N,2,6-trimethylanilino)ethyl]benzenesulfonamide
CID 23604904
3-chloro-N-[2-(dimethylamino)-2-phenylethyl]benzenesulfonamide
CID 44903192
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-4-phenylbenzenesulfonamide
CID 16932794
4-methyl-N-(2-phenyl-2-phenylselanylethyl)benzenesulfonamide
CID 86197769
4-chloro-N-[(2S)-2-(diethylamino)-2-phenylethyl]benzenesulfonamide
CID 2198405

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(dimethylamino)-2-phenylethyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(2R)-2-(dimethylamino)-2-phenylethyl]-4-methylbenzenesulfonamide (CID 975376) is N-[(2R)-2-(dimethylamino)-2-phenylethyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(2R)-2-(dimethylamino)-2-phenylethyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(2R)-2-(dimethylamino)-2-phenylethyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NC[C@@H](c2ccccc2)N(C)C)cc1.
What is the InChIKey of N-[(2R)-2-(dimethylamino)-2-phenylethyl]-4-methylbenzenesulfonamide?
The InChIKey is USBPDOSMXKHOEH-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H22N2O2S/c1-14-9-11-16(12-10-14)22(20,21)18-13-17(19(2)3)15-7-5-4-6-8-15/h4-12,17-18H,13H2,1-3H3/t17-/m0/s1.
What are the key properties of N-[(2R)-2-(dimethylamino)-2-phenylethyl]-4-methylbenzenesulfonamide?
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-4-methylbenzenesulfonamide has a molecular weight of 318.44 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(dimethylamino)-2-phenylethyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 975376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).