3-(benzenesulfonyl)-N-[(2S)-2-phenylpropyl]benzenesulfonamide

C21H21NO4S2 — CID 11978755

IUPAC3-(benzenesulfonyl)-N-[(2S)-2-phenylpropyl]benzenesulfonamide
SMILESC[C@H](CNS(=O)(=O)c1cccc(S(=O)(=O)c2ccccc2)c1)c1ccccc1
InChIInChI=1S/C21H21NO4S2/c1-17(18-9-4-2-5-10-18)16-22-28(25,26)21-14-8-13-20(15-21)27(23,24)19-11-6-3-7-12-19/h2-15,17,22H,16H2,1H3/t17-/m1/s1
InChIKeyATVDTUGKTFQZHP-QGZVFWFLSA-N
MW415.54 g/mol
LogP3.60
Rot. Bonds7

About 3-(benzenesulfonyl)-N-[(2S)-2-phenylpropyl]benzenesulfonamide

3-(benzenesulfonyl)-N-[(2S)-2-phenylpropyl]benzenesulfonamide (PubChem CID 11978755) has the molecular formula C21H21NO4S2 and a molecular weight of 415.54 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-[(2S)-2-phenylpropyl]benzenesulfonamide.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-[(2S)-2-phenylpropyl]benzenesulfonamide
PubChem CID11978755
Molecular FormulaC21H21NO4S2
Molecular Weight415.54 g/mol
Exact Mass415.09
IUPAC Name3-(benzenesulfonyl)-N-[(2S)-2-phenylpropyl]benzenesulfonamide
SMILESC[C@H](CNS(=O)(=O)c1cccc(S(=O)(=O)c2ccccc2)c1)c1ccccc1
InChIInChI=1S/C21H21NO4S2/c1-17(18-9-4-2-5-10-18)16-22-28(25,26)21-14-8-13-20(15-21)27(23,24)19-11-6-3-7-12-19/h2-15,17,22H,16H2,1H3/t17-/m1/s1
InChIKeyATVDTUGKTFQZHP-QGZVFWFLSA-N
XLogP3.60
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-phenylpropyl)-3-(trifluoromethyl)benzenesulfonamide
CID 43012056
N-(2-phenylpropyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 43001353
3-(benzenesulfonyl)-N-(3-methoxypropyl)benzenesulfonamide
CID 11978633
3-bromo-4-methoxy-N-[(2R)-2-phenylpropyl]benzenesulfonamide
CID 32945181
N-(2-phenylpropyl)methanesulfonamide
CID 47121755
N-(2-methylpropyl)-3-methylsulfonylbenzenesulfonamide
CID 47154529
3-chloro-4-methoxy-N-[(2S)-2-phenylpropyl]benzenesulfonamide
CID 37498470
methyl 1-methyl-4-(2-phenylpropylsulfamoyl)pyrrole-2-carboxylate
CID 20914102
N-[2-(methylamino)propyl]-3-propan-2-ylbenzenesulfonamide
CID 120824992
N-[(2R)-4-hydroxy-2-phenylbutyl]-3-methylsulfonylbenzenesulfonamide
CID 96542928
6-(aminomethyl)-N-(2-phenylpropyl)pyridine-3-sulfonamide
CID 114613731
1-chloro-N-(2-phenylpropyl)methanesulfonamide
CID 63665326

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N-[(2S)-2-phenylpropyl]benzenesulfonamide?
The IUPAC name of 3-(benzenesulfonyl)-N-[(2S)-2-phenylpropyl]benzenesulfonamide (CID 11978755) is 3-(benzenesulfonyl)-N-[(2S)-2-phenylpropyl]benzenesulfonamide.
What is the SMILES notation for 3-(benzenesulfonyl)-N-[(2S)-2-phenylpropyl]benzenesulfonamide?
The canonical SMILES for 3-(benzenesulfonyl)-N-[(2S)-2-phenylpropyl]benzenesulfonamide is C[C@H](CNS(=O)(=O)c1cccc(S(=O)(=O)c2ccccc2)c1)c1ccccc1.
What is the InChIKey of 3-(benzenesulfonyl)-N-[(2S)-2-phenylpropyl]benzenesulfonamide?
The InChIKey is ATVDTUGKTFQZHP-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H21NO4S2/c1-17(18-9-4-2-5-10-18)16-22-28(25,26)21-14-8-13-20(15-21)27(23,24)19-11-6-3-7-12-19/h2-15,17,22H,16H2,1H3/t17-/m1/s1.
What are the key properties of 3-(benzenesulfonyl)-N-[(2S)-2-phenylpropyl]benzenesulfonamide?
3-(benzenesulfonyl)-N-[(2S)-2-phenylpropyl]benzenesulfonamide has a molecular weight of 415.54 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N-[(2S)-2-phenylpropyl]benzenesulfonamide is sourced from PubChem (CID 11978755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).