4-pentyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzenesulfonamide

C22H25N3O4S2 — CID 3868589

IUPAC4-pentyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzenesulfonamide
SMILESCCCCCc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc1
InChIInChI=1S/C22H25N3O4S2/c1-2-3-4-7-18-9-13-20(14-10-18)30(26,27)24-19-11-15-21(16-12-19)31(28,29)25-22-8-5-6-17-23-22/h5-6,8-17,24H,2-4,7H2,1H3,(H,23,25)
InChIKeyGSKPUADMNDGRMK-UHFFFAOYSA-N
MW459.59 g/mol
LogP4.42
Rot. Bonds10

About 4-pentyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzenesulfonamide

4-pentyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzenesulfonamide (PubChem CID 3868589) has the molecular formula C22H25N3O4S2 and a molecular weight of 459.59 g/mol. Its IUPAC name is 4-pentyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-pentyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzenesulfonamide
PubChem CID3868589
Molecular FormulaC22H25N3O4S2
Molecular Weight459.59 g/mol
Exact Mass459.13
IUPAC Name4-pentyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzenesulfonamide
SMILESCCCCCc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc1
InChIInChI=1S/C22H25N3O4S2/c1-2-3-4-7-18-9-13-20(14-10-18)30(26,27)24-19-11-15-21(16-12-19)31(28,29)25-22-8-5-6-17-23-22/h5-6,8-17,24H,2-4,7H2,1H3,(H,23,25)
InChIKeyGSKPUADMNDGRMK-UHFFFAOYSA-N
XLogP4.42
TPSA105.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.59
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-propyl-N-pyridin-2-ylbenzenesulfonamide
CID 3269642
N-(4-anilinophenyl)-4-hexylbenzenesulfonamide
CID 84552335
4-[(4-ethoxyphenyl)sulfonylamino]-N-pyridin-2-ylbenzenesulfonamide
CID 92674441
N-[4-(pyridin-2-ylsulfamoyl)phenyl]pentanamide
CID 19176522
N-anthracen-2-yl-4-pentylbenzenesulfonamide
CID 3844846
4-(4-propylphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]butanamide
CID 19191432
4-butyl-N-[4-[(6-methoxypyridazin-3-yl)sulfamoyl]phenyl]benzenesulfonamide
CID 6413238
N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide
CID 725106
4-(benzylamino)-N-pyridin-2-ylbenzenesulfonamide
CID 67330648
4-[[4-(pyridin-2-ylsulfamoyl)phenyl]sulfamoyl]benzoic acid
CID 4918646
diethyl 2-[1-[4-(pyridin-2-ylsulfamoyl)anilino]hexyl]propanedioate
CID 166070312
4-hexyl-N-[4-(2-methylpropoxy)phenyl]benzenesulfonamide
CID 84552359

Frequently Asked Questions

What is the IUPAC name of 4-pentyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzenesulfonamide?
The IUPAC name of 4-pentyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzenesulfonamide (CID 3868589) is 4-pentyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-pentyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-pentyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzenesulfonamide is CCCCCc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc1.
What is the InChIKey of 4-pentyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzenesulfonamide?
The InChIKey is GSKPUADMNDGRMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4S2/c1-2-3-4-7-18-9-13-20(14-10-18)30(26,27)24-19-11-15-21(16-12-19)31(28,29)25-22-8-5-6-17-23-22/h5-6,8-17,24H,2-4,7H2,1H3,(H,23,25).
What are the key properties of 4-pentyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzenesulfonamide?
4-pentyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzenesulfonamide has a molecular weight of 459.59 g/mol, XLogP of 4.42, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pentyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 3868589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).