N-[3-(butylamino)propyl]-3-methylbenzenesulfonamide

C14H24N2O2S — CID 155203443

IUPACN-[3-(butylamino)propyl]-3-methylbenzenesulfonamide
SMILESCCCCNCCCNS(=O)(=O)c1cccc(C)c1
InChIInChI=1S/C14H24N2O2S/c1-3-4-9-15-10-6-11-16-19(17,18)14-8-5-7-13(2)12-14/h5,7-8,12,15-16H,3-4,6,9-11H2,1-2H3
InChIKeyXAEYXHGKOBYJMC-UHFFFAOYSA-N
MW284.42 g/mol
LogP2.05
Rot. Bonds9

About N-[3-(butylamino)propyl]-3-methylbenzenesulfonamide

N-[3-(butylamino)propyl]-3-methylbenzenesulfonamide (PubChem CID 155203443) has the molecular formula C14H24N2O2S and a molecular weight of 284.42 g/mol. Its IUPAC name is N-[3-(butylamino)propyl]-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(butylamino)propyl]-3-methylbenzenesulfonamide
PubChem CID155203443
Molecular FormulaC14H24N2O2S
Molecular Weight284.42 g/mol
Exact Mass284.16
IUPAC NameN-[3-(butylamino)propyl]-3-methylbenzenesulfonamide
SMILESCCCCNCCCNS(=O)(=O)c1cccc(C)c1
InChIInChI=1S/C14H24N2O2S/c1-3-4-9-15-10-6-11-16-19(17,18)14-8-5-7-13(2)12-14/h5,7-8,12,15-16H,3-4,6,9-11H2,1-2H3
InChIKeyXAEYXHGKOBYJMC-UHFFFAOYSA-N
XLogP2.05
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.42
LogP ≤ 52.05
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

N-(3-cyanopropyl)-3-methylbenzenesulfonamide
CID 62667392
N-(2-aminoethyl)-3-methylbenzenesulfonamide;hydrochloride
CID 119960152
3-(butylsulfamoyl)-N-(2,5-dimethylphenyl)benzamide
CID 17226677
N-butyl-3-(2-methylpropanoyl)benzenesulfonamide
CID 39383401
N-(5-bromo-4-methylpentyl)-3-methylbenzenesulfonamide
CID 106158703
4-methyl-N-[3-[2-[3-[(4-methylphenyl)sulfonylamino]propylamino]ethylamino]propyl]benzenesulfonamide
CID 10917846
N'-hydroxy-4-[(3-methylphenyl)sulfonylamino]butanimidamide
CID 76952883
3-bromo-N-hexylbenzenesulfonamide
CID 31481292
ethyl 3-[(3-methylphenyl)sulfonylamino]propanoate
CID 60643076
N-butyl-2,5-dimethylbenzenesulfonamide
CID 2414109
3-cyano-N-pentylbenzenesulfonamide
CID 3575653
N-[2-(2-bromoethoxy)ethyl]-3-methylbenzenesulfonamide
CID 114295997

Frequently Asked Questions

What is the IUPAC name of N-[3-(butylamino)propyl]-3-methylbenzenesulfonamide?
The IUPAC name of N-[3-(butylamino)propyl]-3-methylbenzenesulfonamide (CID 155203443) is N-[3-(butylamino)propyl]-3-methylbenzenesulfonamide.
What is the SMILES notation for N-[3-(butylamino)propyl]-3-methylbenzenesulfonamide?
The canonical SMILES for N-[3-(butylamino)propyl]-3-methylbenzenesulfonamide is CCCCNCCCNS(=O)(=O)c1cccc(C)c1.
What is the InChIKey of N-[3-(butylamino)propyl]-3-methylbenzenesulfonamide?
The InChIKey is XAEYXHGKOBYJMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-3-4-9-15-10-6-11-16-19(17,18)14-8-5-7-13(2)12-14/h5,7-8,12,15-16H,3-4,6,9-11H2,1-2H3.
What are the key properties of N-[3-(butylamino)propyl]-3-methylbenzenesulfonamide?
N-[3-(butylamino)propyl]-3-methylbenzenesulfonamide has a molecular weight of 284.42 g/mol, XLogP of 2.05, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(butylamino)propyl]-3-methylbenzenesulfonamide is sourced from PubChem (CID 155203443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).