N-(2-benzylphenyl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide

C23H24N2O4S2 — CID 26979760

IUPACN-(2-benzylphenyl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1Cc1ccccc1)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C23H24N2O4S2/c26-30(27,21-12-14-22(15-13-21)31(28,29)25-16-6-7-17-25)24-23-11-5-4-10-20(23)18-19-8-2-1-3-9-19/h1-5,8-15,24H,6-7,16-18H2
InChIKeyLNKXSTBLUDJEAC-UHFFFAOYSA-N
MW456.59 g/mol
LogP3.86
Rot. Bonds7

About N-(2-benzylphenyl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide

N-(2-benzylphenyl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide (PubChem CID 26979760) has the molecular formula C23H24N2O4S2 and a molecular weight of 456.59 g/mol. Its IUPAC name is N-(2-benzylphenyl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-benzylphenyl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide
PubChem CID26979760
Molecular FormulaC23H24N2O4S2
Molecular Weight456.59 g/mol
Exact Mass456.12
IUPAC NameN-(2-benzylphenyl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1Cc1ccccc1)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C23H24N2O4S2/c26-30(27,21-12-14-22(15-13-21)31(28,29)25-16-6-7-17-25)24-23-11-5-4-10-20(23)18-19-8-2-1-3-9-19/h1-5,8-15,24H,6-7,16-18H2
InChIKeyLNKXSTBLUDJEAC-UHFFFAOYSA-N
XLogP3.86
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.59
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethylphenyl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide
CID 2696858
N-(2-fluorophenyl)-4-piperidin-1-ylsulfonylbenzenesulfonamide
CID 55559756
N-(2,6-dimethylphenyl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide
CID 8504701
2-[4-[(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylamino]phenyl]acetic acid
CID 45473270
N-(2-pyrazol-1-ylphenyl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide
CID 55895716
1-[4-(4-benzylpiperazin-1-yl)sulfonylphenyl]sulfonylazepane
CID 1167101
2-(2-benzylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 42070359
N-(2-benzylphenyl)-4-chloro-3-pyrrolidin-1-ylsulfonylbenzamide
CID 3247627
N-(2-benzylphenyl)-1-phenylmethanesulfonamide
CID 8514129
N-(2-benzylphenyl)-4-fluoro-3-pyrrolidin-1-ylsulfonylbenzamide
CID 37024629
1-(2-chlorophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)methanesulfonamide
CID 17257615
N-(2-benzylphenyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 16615812

Frequently Asked Questions

What is the IUPAC name of N-(2-benzylphenyl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide?
The IUPAC name of N-(2-benzylphenyl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide (CID 26979760) is N-(2-benzylphenyl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide.
What is the SMILES notation for N-(2-benzylphenyl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide?
The canonical SMILES for N-(2-benzylphenyl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide is O=S(=O)(Nc1ccccc1Cc1ccccc1)c1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of N-(2-benzylphenyl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide?
The InChIKey is LNKXSTBLUDJEAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4S2/c26-30(27,21-12-14-22(15-13-21)31(28,29)25-16-6-7-17-25)24-23-11-5-4-10-20(23)18-19-8-2-1-3-9-19/h1-5,8-15,24H,6-7,16-18H2.
What are the key properties of N-(2-benzylphenyl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide?
N-(2-benzylphenyl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide has a molecular weight of 456.59 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzylphenyl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide is sourced from PubChem (CID 26979760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).