N-(4-hydroxybutyl)-4-(2-nitrosophenyl)benzenesulfonamide

C16H18N2O4S — CID 89125727

IUPACN-(4-hydroxybutyl)-4-(2-nitrosophenyl)benzenesulfonamide
SMILESO=Nc1ccccc1-c1ccc(S(=O)(=O)NCCCCO)cc1
InChIInChI=1S/C16H18N2O4S/c19-12-4-3-11-17-23(21,22)14-9-7-13(8-10-14)15-5-1-2-6-16(15)18-20/h1-2,5-10,17,19H,3-4,11-12H2
InChIKeySRHIRLGVEBBHCC-UHFFFAOYSA-N
MW334.40 g/mol
LogP2.80
Rot. Bonds8

About N-(4-hydroxybutyl)-4-(2-nitrosophenyl)benzenesulfonamide

N-(4-hydroxybutyl)-4-(2-nitrosophenyl)benzenesulfonamide (PubChem CID 89125727) has the molecular formula C16H18N2O4S and a molecular weight of 334.40 g/mol. Its IUPAC name is N-(4-hydroxybutyl)-4-(2-nitrosophenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-hydroxybutyl)-4-(2-nitrosophenyl)benzenesulfonamide
PubChem CID89125727
Molecular FormulaC16H18N2O4S
Molecular Weight334.40 g/mol
Exact Mass334.10
IUPAC NameN-(4-hydroxybutyl)-4-(2-nitrosophenyl)benzenesulfonamide
SMILESO=Nc1ccccc1-c1ccc(S(=O)(=O)NCCCCO)cc1
InChIInChI=1S/C16H18N2O4S/c19-12-4-3-11-17-23(21,22)14-9-7-13(8-10-14)15-5-1-2-6-16(15)18-20/h1-2,5-10,17,19H,3-4,11-12H2
InChIKeySRHIRLGVEBBHCC-UHFFFAOYSA-N
XLogP2.80
TPSA95.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 52.80
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

N-(4-hydroxybutyl)-4-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 11682252
4-amino-N-(5-hydroxypentyl)benzenesulfonamide
CID 107316374
N-(5-hydroxypentyl)-4-(4-isocyanophenyl)benzenesulfonamide
CID 59728337
2-(4-fluorophenyl)-N-(4-hydroxybutyl)benzenesulfonamide
CID 11638382
N-(4-hydroxybutyl)-4-[4-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 11509340
[4-[4-(4-hydroxybutylsulfamoyl)phenyl]phenyl] acetate
CID 11552296
4-(4-bromo-2-fluorophenyl)-N-(5-hydroxypentyl)benzenesulfonamide
CID 143148426
4-(5-hydroxypentylsulfamoyl)benzamide
CID 107319438
4-N-(3-hydroxypropyl)-1-N-methylbenzene-1,4-disulfonamide
CID 43501515
4-chloro-N-(3-hydroxypropyl)benzenesulfonamide
CID 5127490
N-pentyl-4-phenylbenzenesulfonamide
CID 3666440
N-(4-aminobutyl)-4-phenylbenzenesulfonamide
CID 11601917

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxybutyl)-4-(2-nitrosophenyl)benzenesulfonamide?
The IUPAC name of N-(4-hydroxybutyl)-4-(2-nitrosophenyl)benzenesulfonamide (CID 89125727) is N-(4-hydroxybutyl)-4-(2-nitrosophenyl)benzenesulfonamide.
What is the SMILES notation for N-(4-hydroxybutyl)-4-(2-nitrosophenyl)benzenesulfonamide?
The canonical SMILES for N-(4-hydroxybutyl)-4-(2-nitrosophenyl)benzenesulfonamide is O=Nc1ccccc1-c1ccc(S(=O)(=O)NCCCCO)cc1.
What is the InChIKey of N-(4-hydroxybutyl)-4-(2-nitrosophenyl)benzenesulfonamide?
The InChIKey is SRHIRLGVEBBHCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4S/c19-12-4-3-11-17-23(21,22)14-9-7-13(8-10-14)15-5-1-2-6-16(15)18-20/h1-2,5-10,17,19H,3-4,11-12H2.
What are the key properties of N-(4-hydroxybutyl)-4-(2-nitrosophenyl)benzenesulfonamide?
N-(4-hydroxybutyl)-4-(2-nitrosophenyl)benzenesulfonamide has a molecular weight of 334.40 g/mol, XLogP of 2.80, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxybutyl)-4-(2-nitrosophenyl)benzenesulfonamide is sourced from PubChem (CID 89125727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).