N,N-dimethyl-4-(4-methylpentylamino)benzenesulfonamide

C14H24N2O2S — CID 54913685

IUPACN,N-dimethyl-4-(4-methylpentylamino)benzenesulfonamide
SMILESCC(C)CCCNc1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C14H24N2O2S/c1-12(2)6-5-11-15-13-7-9-14(10-8-13)19(17,18)16(3)4/h7-10,12,15H,5-6,11H2,1-4H3
InChIKeyQPSSNSJLEOLRIF-UHFFFAOYSA-N
MW284.43 g/mol
LogP2.79
Rot. Bonds7

About N,N-dimethyl-4-(4-methylpentylamino)benzenesulfonamide

N,N-dimethyl-4-(4-methylpentylamino)benzenesulfonamide (PubChem CID 54913685) has the molecular formula C14H24N2O2S and a molecular weight of 284.43 g/mol. Its IUPAC name is N,N-dimethyl-4-(4-methylpentylamino)benzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-4-(4-methylpentylamino)benzenesulfonamide
PubChem CID54913685
Molecular FormulaC14H24N2O2S
Molecular Weight284.43 g/mol
Exact Mass284.16
IUPAC NameN,N-dimethyl-4-(4-methylpentylamino)benzenesulfonamide
SMILESCC(C)CCCNc1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C14H24N2O2S/c1-12(2)6-5-11-15-13-7-9-14(10-8-13)19(17,18)16(3)4/h7-10,12,15H,5-6,11H2,1-4H3
InChIKeyQPSSNSJLEOLRIF-UHFFFAOYSA-N
XLogP2.79
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-4-[3-[methyl(propan-2-yl)amino]propylamino]benzenesulfonamide
CID 106048559
4-(5-chloropentylamino)-N,N-dimethylbenzenesulfonamide
CID 107320547
4-[3-(ethylamino)propylamino]-N,N-dimethylbenzenesulfonamide
CID 54906965
4-[4-(dimethylsulfamoyl)anilino]butanamide
CID 60863966
4-(2-hydroxyethylamino)-N,N-dimethylbenzenesulfonamide
CID 43453910
4-[(4-hydroxy-2-methylbutyl)amino]-N,N-dimethylbenzenesulfonamide
CID 66107751
4-N,4-N-dimethyl-1-N-(4-methylpentyl)benzene-1,4-diamine
CID 83155630
6-[4-(dimethylsulfamoyl)anilino]hexanoic acid
CID 43453874
4-(ethylamino)-N,N-dimethylbenzenesulfonamide
CID 43415076
4-[2-[ethyl(methyl)amino]ethylamino]-N,N-dimethylbenzenesulfonamide
CID 62640164
4-(heptan-2-ylamino)-N,N-dimethylbenzenesulfonamide
CID 43682515
3-[4-(dimethylsulfamoyl)anilino]-N,N-dimethylpropanamide
CID 60926501

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(4-methylpentylamino)benzenesulfonamide?
The IUPAC name of N,N-dimethyl-4-(4-methylpentylamino)benzenesulfonamide (CID 54913685) is N,N-dimethyl-4-(4-methylpentylamino)benzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-4-(4-methylpentylamino)benzenesulfonamide?
The canonical SMILES for N,N-dimethyl-4-(4-methylpentylamino)benzenesulfonamide is CC(C)CCCNc1ccc(S(=O)(=O)N(C)C)cc1.
What is the InChIKey of N,N-dimethyl-4-(4-methylpentylamino)benzenesulfonamide?
The InChIKey is QPSSNSJLEOLRIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-12(2)6-5-11-15-13-7-9-14(10-8-13)19(17,18)16(3)4/h7-10,12,15H,5-6,11H2,1-4H3.
What are the key properties of N,N-dimethyl-4-(4-methylpentylamino)benzenesulfonamide?
N,N-dimethyl-4-(4-methylpentylamino)benzenesulfonamide has a molecular weight of 284.43 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(4-methylpentylamino)benzenesulfonamide is sourced from PubChem (CID 54913685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).