N-[(3-fluorophenyl)methyl]-3-[(1H-indol-2-ylmethylamino)methyl]benzenesulfonamide

C23H22FN3O2S — CID 166229379

IUPACN-[(3-fluorophenyl)methyl]-3-[(1H-indol-2-ylmethylamino)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1cccc(F)c1)c1cccc(CNCc2cc3ccccc3[nH]2)c1
InChIInChI=1S/C23H22FN3O2S/c24-20-8-3-5-17(11-20)15-26-30(28,29)22-9-4-6-18(12-22)14-25-16-21-13-19-7-1-2-10-23(19)27-21/h1-13,25-27H,14-16H2
InChIKeyXOCGIZFIUWXXHT-UHFFFAOYSA-N
MW423.51 g/mol
LogP4.08
Rot. Bonds8

About N-[(3-fluorophenyl)methyl]-3-[(1H-indol-2-ylmethylamino)methyl]benzenesulfonamide

N-[(3-fluorophenyl)methyl]-3-[(1H-indol-2-ylmethylamino)methyl]benzenesulfonamide (PubChem CID 166229379) has the molecular formula C23H22FN3O2S and a molecular weight of 423.51 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-3-[(1H-indol-2-ylmethylamino)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-3-[(1H-indol-2-ylmethylamino)methyl]benzenesulfonamide
PubChem CID166229379
Molecular FormulaC23H22FN3O2S
Molecular Weight423.51 g/mol
Exact Mass423.14
IUPAC NameN-[(3-fluorophenyl)methyl]-3-[(1H-indol-2-ylmethylamino)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1cccc(F)c1)c1cccc(CNCc2cc3ccccc3[nH]2)c1
InChIInChI=1S/C23H22FN3O2S/c24-20-8-3-5-17(11-20)15-26-30(28,29)22-9-4-6-18(12-22)14-25-16-21-13-19-7-1-2-10-23(19)27-21/h1-13,25-27H,14-16H2
InChIKeyXOCGIZFIUWXXHT-UHFFFAOYSA-N
XLogP4.08
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 54.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-N-[(3-fluorophenyl)methyl]benzenesulfonamide
CID 25046873
N-[[3-(bromomethyl)phenyl]methyl]-3-fluorobenzenesulfonamide
CID 114297989
3-[[(3-fluorophenyl)methylamino]methyl]-N-propan-2-ylbenzenesulfonamide
CID 47620145
1-[(3-fluorophenyl)methyl]-3-(1H-indol-2-ylmethyl)-2-methylguanidine;hydroiodide
CID 111877154
N-[(3-fluorophenyl)methyl]-3-[[(6-methyl-2-pyridinyl)amino]methyl]benzenesulfonamide
CID 133482259
3-fluoro-N-[2-(3-fluorophenyl)ethyl]benzenesulfonamide
CID 18097170
4-cyano-N-(1H-indol-2-ylmethyl)benzenesulfonamide
CID 51101183
N-[(3,5-dichlorophenyl)methyl]-3-fluorobenzenesulfonamide
CID 3858076
1-amino-N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]cyclopropane-1-carboxamide
CID 119731455
3-fluoro-N-[2-[(3-fluorophenyl)sulfonylamino]ethyl]benzenesulfonamide
CID 30170522
N-[(3-fluorophenyl)methyl]-4-(methylamino)benzenesulfonamide
CID 43332122
3-amino-4-chloro-N-[(3-fluorophenyl)methyl]benzenesulfonamide
CID 28970051

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-3-[(1H-indol-2-ylmethylamino)methyl]benzenesulfonamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-3-[(1H-indol-2-ylmethylamino)methyl]benzenesulfonamide (CID 166229379) is N-[(3-fluorophenyl)methyl]-3-[(1H-indol-2-ylmethylamino)methyl]benzenesulfonamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-3-[(1H-indol-2-ylmethylamino)methyl]benzenesulfonamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-3-[(1H-indol-2-ylmethylamino)methyl]benzenesulfonamide is O=S(=O)(NCc1cccc(F)c1)c1cccc(CNCc2cc3ccccc3[nH]2)c1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-3-[(1H-indol-2-ylmethylamino)methyl]benzenesulfonamide?
The InChIKey is XOCGIZFIUWXXHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O2S/c24-20-8-3-5-17(11-20)15-26-30(28,29)22-9-4-6-18(12-22)14-25-16-21-13-19-7-1-2-10-23(19)27-21/h1-13,25-27H,14-16H2.
What are the key properties of N-[(3-fluorophenyl)methyl]-3-[(1H-indol-2-ylmethylamino)methyl]benzenesulfonamide?
N-[(3-fluorophenyl)methyl]-3-[(1H-indol-2-ylmethylamino)methyl]benzenesulfonamide has a molecular weight of 423.51 g/mol, XLogP of 4.08, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-3-[(1H-indol-2-ylmethylamino)methyl]benzenesulfonamide is sourced from PubChem (CID 166229379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).