4-chloro-N-[(2R)-2-[2-methoxyethyl(thiophen-2-ylmethyl)amino]-2-phenylethyl]benzenesulfonamide

C22H25ClN2O3S2 — CID 92701824

IUPAC4-chloro-N-[(2R)-2-[2-methoxyethyl(thiophen-2-ylmethyl)amino]-2-phenylethyl]benzenesulfonamide
SMILESCOCCN(Cc1cccs1)[C@@H](CNS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C22H25ClN2O3S2/c1-28-14-13-25(17-20-8-5-15-29-20)22(18-6-3-2-4-7-18)16-24-30(26,27)21-11-9-19(23)10-12-21/h2-12,15,22,24H,13-14,16-17H2,1H3/t22-/m0/s1
InChIKeyFWNBMOYUJOTDOI-QFIPXVFZSA-N
MW465.04 g/mol
LogP4.57
Rot. Bonds11

About 4-chloro-N-[(2R)-2-[2-methoxyethyl(thiophen-2-ylmethyl)amino]-2-phenylethyl]benzenesulfonamide

4-chloro-N-[(2R)-2-[2-methoxyethyl(thiophen-2-ylmethyl)amino]-2-phenylethyl]benzenesulfonamide (PubChem CID 92701824) has the molecular formula C22H25ClN2O3S2 and a molecular weight of 465.04 g/mol. Its IUPAC name is 4-chloro-N-[(2R)-2-[2-methoxyethyl(thiophen-2-ylmethyl)amino]-2-phenylethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[(2R)-2-[2-methoxyethyl(thiophen-2-ylmethyl)amino]-2-phenylethyl]benzenesulfonamide
PubChem CID92701824
Molecular FormulaC22H25ClN2O3S2
Molecular Weight465.04 g/mol
Exact Mass464.10
IUPAC Name4-chloro-N-[(2R)-2-[2-methoxyethyl(thiophen-2-ylmethyl)amino]-2-phenylethyl]benzenesulfonamide
SMILESCOCCN(Cc1cccs1)[C@@H](CNS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C22H25ClN2O3S2/c1-28-14-13-25(17-20-8-5-15-29-20)22(18-6-3-2-4-7-18)16-24-30(26,27)21-11-9-19(23)10-12-21/h2-12,15,22,24H,13-14,16-17H2,1H3/t22-/m0/s1
InChIKeyFWNBMOYUJOTDOI-QFIPXVFZSA-N
XLogP4.57
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.04
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[(2R)-2-(diethylamino)-2-phenylethyl]benzenesulfonamide
CID 2198403
4-chloro-N-[(2S)-2-(diethylamino)-2-phenylethyl]benzenesulfonamide
CID 2198405
4-chloro-N-[(2S)-2-[2-cyanoethyl(methyl)amino]-2-phenylethyl]benzenesulfonamide
CID 92669845
N-(2,2-difluoroethyl)-N-(2-methoxyethyl)-4-(2-thiophen-2-ylethylsulfamoyl)benzamide
CID 56521695
4-chloro-N-[(2S)-2-[4-[(1S)-2-[(4-chlorophenyl)sulfonylamino]-1-phenylethyl]piperazin-1-yl]-2-phenylethyl]benzenesulfonamide
CID 7067570
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-4-methylbenzenesulfonamide
CID 975376
N-(1-phenylethyl)-4-(2-thiophen-2-ylethylsulfamoyl)benzamide
CID 46596325
N,N'-dimethyl-1-phenyl-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine
CID 79494234
4-(2-methoxyethoxy)-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 35299415
4-chloro-N-[(2R)-2-(4-ethylpiperazin-1-yl)-2-phenylethyl]benzenesulfonamide
CID 92669850
N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-4-(2-methoxyethoxy)benzenesulfonamide
CID 43062063
3-chloro-N-[2-(dimethylamino)-2-phenylethyl]benzenesulfonamide
CID 44903192

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(2R)-2-[2-methoxyethyl(thiophen-2-ylmethyl)amino]-2-phenylethyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[(2R)-2-[2-methoxyethyl(thiophen-2-ylmethyl)amino]-2-phenylethyl]benzenesulfonamide (CID 92701824) is 4-chloro-N-[(2R)-2-[2-methoxyethyl(thiophen-2-ylmethyl)amino]-2-phenylethyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[(2R)-2-[2-methoxyethyl(thiophen-2-ylmethyl)amino]-2-phenylethyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[(2R)-2-[2-methoxyethyl(thiophen-2-ylmethyl)amino]-2-phenylethyl]benzenesulfonamide is COCCN(Cc1cccs1)[C@@H](CNS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of 4-chloro-N-[(2R)-2-[2-methoxyethyl(thiophen-2-ylmethyl)amino]-2-phenylethyl]benzenesulfonamide?
The InChIKey is FWNBMOYUJOTDOI-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H25ClN2O3S2/c1-28-14-13-25(17-20-8-5-15-29-20)22(18-6-3-2-4-7-18)16-24-30(26,27)21-11-9-19(23)10-12-21/h2-12,15,22,24H,13-14,16-17H2,1H3/t22-/m0/s1.
What are the key properties of 4-chloro-N-[(2R)-2-[2-methoxyethyl(thiophen-2-ylmethyl)amino]-2-phenylethyl]benzenesulfonamide?
4-chloro-N-[(2R)-2-[2-methoxyethyl(thiophen-2-ylmethyl)amino]-2-phenylethyl]benzenesulfonamide has a molecular weight of 465.04 g/mol, XLogP of 4.57, 11 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-[2-methoxyethyl(thiophen-2-ylmethyl)amino]-2-phenylethyl]benzenesulfonamide is sourced from PubChem (CID 92701824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).