4-chloro-N-[(2R)-2-(diethylamino)-2-phenylethyl]benzenesulfonamide

C18H23ClN2O2S — CID 2198403

IUPAC4-chloro-N-[(2R)-2-(diethylamino)-2-phenylethyl]benzenesulfonamide
SMILESCCN(CC)[C@@H](CNS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C18H23ClN2O2S/c1-3-21(4-2)18(15-8-6-5-7-9-15)14-20-24(22,23)17-12-10-16(19)11-13-17/h5-13,18,20H,3-4,14H2,1-2H3/t18-/m0/s1
InChIKeyPCRMKKMKFBAEKN-SFHVURJKSA-N
MW366.91 g/mol
LogP3.70
Rot. Bonds8

About 4-chloro-N-[(2R)-2-(diethylamino)-2-phenylethyl]benzenesulfonamide

4-chloro-N-[(2R)-2-(diethylamino)-2-phenylethyl]benzenesulfonamide (PubChem CID 2198403) has the molecular formula C18H23ClN2O2S and a molecular weight of 366.91 g/mol. Its IUPAC name is 4-chloro-N-[(2R)-2-(diethylamino)-2-phenylethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[(2R)-2-(diethylamino)-2-phenylethyl]benzenesulfonamide
PubChem CID2198403
Molecular FormulaC18H23ClN2O2S
Molecular Weight366.91 g/mol
Exact Mass366.12
IUPAC Name4-chloro-N-[(2R)-2-(diethylamino)-2-phenylethyl]benzenesulfonamide
SMILESCCN(CC)[C@@H](CNS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C18H23ClN2O2S/c1-3-21(4-2)18(15-8-6-5-7-9-15)14-20-24(22,23)17-12-10-16(19)11-13-17/h5-13,18,20H,3-4,14H2,1-2H3/t18-/m0/s1
InChIKeyPCRMKKMKFBAEKN-SFHVURJKSA-N
XLogP3.70
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.91
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[(2S)-2-(diethylamino)-2-phenylethyl]benzenesulfonamide
CID 2198405
4-[[2-(diethylamino)-2-phenylethyl]sulfamoyl]benzamide
CID 86911832
4-chloro-N-[(2S)-2-[2-cyanoethyl(methyl)amino]-2-phenylethyl]benzenesulfonamide
CID 92669845
4-chloro-N-[(2R)-2-[2-methoxyethyl(thiophen-2-ylmethyl)amino]-2-phenylethyl]benzenesulfonamide
CID 92701824
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-4-methylbenzenesulfonamide
CID 975376
3-chloro-N-[2-(dimethylamino)-2-phenylethyl]benzenesulfonamide
CID 44903192
4-chloro-N-[(2S)-2-[4-[(1S)-2-[(4-chlorophenyl)sulfonylamino]-1-phenylethyl]piperazin-1-yl]-2-phenylethyl]benzenesulfonamide
CID 7067570
1-(4-chlorophenyl)-N,N-diethyl-N'-(propylsulfamoyl)ethane-1,2-diamine
CID 110621877
6-chloro-N-[2-(dimethylamino)-2-phenylethyl]pyridine-3-sulfonamide
CID 110301918
N-[(2S)-2-(diethylamino)-2-(4-methoxyphenyl)ethyl]-4-methylbenzenesulfonamide
CID 166440574
4-chloro-N-[(2R)-2-(4-ethylpiperazin-1-yl)-2-phenylethyl]benzenesulfonamide
CID 92669850
N-[2-(diethylamino)-2-phenylethyl]-2-hydroxyethanesulfonamide
CID 79588864

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(2R)-2-(diethylamino)-2-phenylethyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[(2R)-2-(diethylamino)-2-phenylethyl]benzenesulfonamide (CID 2198403) is 4-chloro-N-[(2R)-2-(diethylamino)-2-phenylethyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[(2R)-2-(diethylamino)-2-phenylethyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[(2R)-2-(diethylamino)-2-phenylethyl]benzenesulfonamide is CCN(CC)[C@@H](CNS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of 4-chloro-N-[(2R)-2-(diethylamino)-2-phenylethyl]benzenesulfonamide?
The InChIKey is PCRMKKMKFBAEKN-SFHVURJKSA-N. The full InChI is InChI=1S/C18H23ClN2O2S/c1-3-21(4-2)18(15-8-6-5-7-9-15)14-20-24(22,23)17-12-10-16(19)11-13-17/h5-13,18,20H,3-4,14H2,1-2H3/t18-/m0/s1.
What are the key properties of 4-chloro-N-[(2R)-2-(diethylamino)-2-phenylethyl]benzenesulfonamide?
4-chloro-N-[(2R)-2-(diethylamino)-2-phenylethyl]benzenesulfonamide has a molecular weight of 366.91 g/mol, XLogP of 3.70, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(2R)-2-(diethylamino)-2-phenylethyl]benzenesulfonamide is sourced from PubChem (CID 2198403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).