N-[4-(butylamino)phenyl]-4-chlorobenzenesulfonamide

C16H19ClN2O2S — CID 112980277

IUPACN-[4-(butylamino)phenyl]-4-chlorobenzenesulfonamide
SMILESCCCCNc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H19ClN2O2S/c1-2-3-12-18-14-6-8-15(9-7-14)19-22(20,21)16-10-4-13(17)5-11-16/h4-11,18-19H,2-3,12H2,1H3
InChIKeyNSFKXIVELYTKGI-UHFFFAOYSA-N
MW338.86 g/mol
LogP4.35
Rot. Bonds7

About N-[4-(butylamino)phenyl]-4-chlorobenzenesulfonamide

N-[4-(butylamino)phenyl]-4-chlorobenzenesulfonamide (PubChem CID 112980277) has the molecular formula C16H19ClN2O2S and a molecular weight of 338.86 g/mol. Its IUPAC name is N-[4-(butylamino)phenyl]-4-chlorobenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(butylamino)phenyl]-4-chlorobenzenesulfonamide
PubChem CID112980277
Molecular FormulaC16H19ClN2O2S
Molecular Weight338.86 g/mol
Exact Mass338.09
IUPAC NameN-[4-(butylamino)phenyl]-4-chlorobenzenesulfonamide
SMILESCCCCNc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H19ClN2O2S/c1-2-3-12-18-14-6-8-15(9-7-14)19-22(20,21)16-10-4-13(17)5-11-16/h4-11,18-19H,2-3,12H2,1H3
InChIKeyNSFKXIVELYTKGI-UHFFFAOYSA-N
XLogP4.35
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.86
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-[4-(3-methylbutylamino)phenyl]benzenesulfonamide
CID 112985139
N-[4-(butylamino)phenyl]-4-propan-2-yloxybenzenesulfonamide
CID 112980319
4-chloro-N-[5-(pentylamino)-2-pyridinyl]benzenesulfonamide
CID 113030458
N-(4-chlorophenyl)-4-(ethylsulfonylamino)benzenesulfonamide
CID 22202641
4-(butylamino)-N-propan-2-ylbenzenesulfonamide
CID 43383407
4-chloro-N-(4-propylphenyl)benzenesulfonamide
CID 167013208
4-[(4-chlorophenyl)sulfonylamino]-N-ethylbenzenesulfonamide
CID 22203365
N-[4-(butylsulfamoyl)phenyl]-2,5-dichlorobenzenesulfonamide
CID 2190292
3,4-dimethyl-N-[4-(pentylamino)phenyl]benzenesulfonamide
CID 112985250
N-(4-iodophenyl)-4-(propylamino)benzenesulfonamide
CID 62142672
N-[4-(butylamino)phenyl]ethanesulfonamide
CID 54866263
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzenesulfonamide
CID 3719852

Frequently Asked Questions

What is the IUPAC name of N-[4-(butylamino)phenyl]-4-chlorobenzenesulfonamide?
The IUPAC name of N-[4-(butylamino)phenyl]-4-chlorobenzenesulfonamide (CID 112980277) is N-[4-(butylamino)phenyl]-4-chlorobenzenesulfonamide.
What is the SMILES notation for N-[4-(butylamino)phenyl]-4-chlorobenzenesulfonamide?
The canonical SMILES for N-[4-(butylamino)phenyl]-4-chlorobenzenesulfonamide is CCCCNc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[4-(butylamino)phenyl]-4-chlorobenzenesulfonamide?
The InChIKey is NSFKXIVELYTKGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O2S/c1-2-3-12-18-14-6-8-15(9-7-14)19-22(20,21)16-10-4-13(17)5-11-16/h4-11,18-19H,2-3,12H2,1H3.
What are the key properties of N-[4-(butylamino)phenyl]-4-chlorobenzenesulfonamide?
N-[4-(butylamino)phenyl]-4-chlorobenzenesulfonamide has a molecular weight of 338.86 g/mol, XLogP of 4.35, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(butylamino)phenyl]-4-chlorobenzenesulfonamide is sourced from PubChem (CID 112980277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).