N-(2-butylphenyl)-4-ethoxybenzenesulfonamide

C18H23NO3S — CID 22774366

IUPACN-(2-butylphenyl)-4-ethoxybenzenesulfonamide
SMILESCCCCc1ccccc1NS(=O)(=O)c1ccc(OCC)cc1
InChIInChI=1S/C18H23NO3S/c1-3-5-8-15-9-6-7-10-18(15)19-23(20,21)17-13-11-16(12-14-17)22-4-2/h6-7,9-14,19H,3-5,8H2,1-2H3
InChIKeyVDLOYLPOZNPCOX-UHFFFAOYSA-N
MW333.45 g/mol
LogP4.23
Rot. Bonds8

About N-(2-butylphenyl)-4-ethoxybenzenesulfonamide

N-(2-butylphenyl)-4-ethoxybenzenesulfonamide (PubChem CID 22774366) has the molecular formula C18H23NO3S and a molecular weight of 333.45 g/mol. Its IUPAC name is N-(2-butylphenyl)-4-ethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(2-butylphenyl)-4-ethoxybenzenesulfonamide
PubChem CID22774366
Molecular FormulaC18H23NO3S
Molecular Weight333.45 g/mol
Exact Mass333.14
IUPAC NameN-(2-butylphenyl)-4-ethoxybenzenesulfonamide
SMILESCCCCc1ccccc1NS(=O)(=O)c1ccc(OCC)cc1
InChIInChI=1S/C18H23NO3S/c1-3-5-8-15-9-6-7-10-18(15)19-23(20,21)17-13-11-16(12-14-17)22-4-2/h6-7,9-14,19H,3-5,8H2,1-2H3
InChIKeyVDLOYLPOZNPCOX-UHFFFAOYSA-N
XLogP4.23
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.45
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-butyl-N-(2-butylphenyl)benzenesulfonamide
CID 22774370
N-(2-butylphenyl)-4-propan-2-ylbenzenesulfonamide
CID 22774369
4-ethoxy-N-(2-ethoxyphenyl)benzenesulfonamide
CID 7559506
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-4-ethoxybenzenesulfonamide
CID 36575306
4-ethoxy-N-(2-ethylsulfanylphenyl)benzenesulfonamide
CID 30396497
4-dodecoxy-N-(2-hydroxyphenyl)benzenesulfonamide
CID 22486758
4-[(4-ethoxyphenyl)sulfonylamino]-N-(2-methoxyphenyl)benzenesulfonamide
CID 22202817
2-[(4-ethoxyphenyl)sulfonylamino]-N-propan-2-ylbenzamide
CID 1006691
4-butoxy-N-phenylbenzenesulfonamide
CID 3597057
2-methyl-N-(2-propylphenyl)benzenesulfonamide
CID 63000036
N-(2-butylphenyl)-2-nitrobenzenesulfonamide
CID 22774386
methyl 2-[(2-butylphenyl)sulfamoyl]benzoate
CID 54336773

Frequently Asked Questions

What is the IUPAC name of N-(2-butylphenyl)-4-ethoxybenzenesulfonamide?
The IUPAC name of N-(2-butylphenyl)-4-ethoxybenzenesulfonamide (CID 22774366) is N-(2-butylphenyl)-4-ethoxybenzenesulfonamide.
What is the SMILES notation for N-(2-butylphenyl)-4-ethoxybenzenesulfonamide?
The canonical SMILES for N-(2-butylphenyl)-4-ethoxybenzenesulfonamide is CCCCc1ccccc1NS(=O)(=O)c1ccc(OCC)cc1.
What is the InChIKey of N-(2-butylphenyl)-4-ethoxybenzenesulfonamide?
The InChIKey is VDLOYLPOZNPCOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3S/c1-3-5-8-15-9-6-7-10-18(15)19-23(20,21)17-13-11-16(12-14-17)22-4-2/h6-7,9-14,19H,3-5,8H2,1-2H3.
What are the key properties of N-(2-butylphenyl)-4-ethoxybenzenesulfonamide?
N-(2-butylphenyl)-4-ethoxybenzenesulfonamide has a molecular weight of 333.45 g/mol, XLogP of 4.23, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butylphenyl)-4-ethoxybenzenesulfonamide is sourced from PubChem (CID 22774366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).