N-(2,2-dimethylpropyl)-4-(propylamino)benzenesulfonamide

C14H24N2O2S — CID 62147451

IUPACN-(2,2-dimethylpropyl)-4-(propylamino)benzenesulfonamide
SMILESCCCNc1ccc(S(=O)(=O)NCC(C)(C)C)cc1
InChIInChI=1S/C14H24N2O2S/c1-5-10-15-12-6-8-13(9-7-12)19(17,18)16-11-14(2,3)4/h6-9,15-16H,5,10-11H2,1-4H3
InChIKeyDJUUWJJAZAAXFT-UHFFFAOYSA-N
MW284.43 g/mol
LogP2.83
Rot. Bonds6

About N-(2,2-dimethylpropyl)-4-(propylamino)benzenesulfonamide

N-(2,2-dimethylpropyl)-4-(propylamino)benzenesulfonamide (PubChem CID 62147451) has the molecular formula C14H24N2O2S and a molecular weight of 284.43 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-4-(propylamino)benzenesulfonamide.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-4-(propylamino)benzenesulfonamide
PubChem CID62147451
Molecular FormulaC14H24N2O2S
Molecular Weight284.43 g/mol
Exact Mass284.16
IUPAC NameN-(2,2-dimethylpropyl)-4-(propylamino)benzenesulfonamide
SMILESCCCNc1ccc(S(=O)(=O)NCC(C)(C)C)cc1
InChIInChI=1S/C14H24N2O2S/c1-5-10-15-12-6-8-13(9-7-12)19(17,18)16-11-14(2,3)4/h6-9,15-16H,5,10-11H2,1-4H3
InChIKeyDJUUWJJAZAAXFT-UHFFFAOYSA-N
XLogP2.83
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-4-(propylamino)benzenesulfonamide
CID 43453948
N-(2,2-dimethylpropyl)-4-hydrazinylbenzenesulfonamide
CID 61168465
4-(propylamino)-N-(2-sulfamoylethyl)benzenesulfonamide
CID 62146808
N-(3-ethylpentan-3-yl)-4-(propylamino)benzenesulfonamide
CID 65042766
4-[2-(ethylamino)ethylamino]-N-propylbenzenesulfonamide
CID 62665534
3-[[4-(propylamino)phenyl]sulfonylamino]propanamide
CID 62146441
4-[2-(dimethylamino)ethylamino]-N-propylbenzenesulfonamide
CID 43454080
N-(2,2-dimethylpropyl)-2-(propylamino)pyrimidine-5-sulfonamide
CID 62147457
4-[(4-amino-2,2-dimethylbutyl)amino]-N-propylbenzenesulfonamide
CID 106141961
N-(4-iodophenyl)-4-(propylamino)benzenesulfonamide
CID 62142672
4-(4-hydroxybutylamino)-N-propylbenzenesulfonamide
CID 106842590
N-ethyl-4-(3,3,3-trifluoropropylamino)benzenesulfonamide
CID 63226786

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-4-(propylamino)benzenesulfonamide?
The IUPAC name of N-(2,2-dimethylpropyl)-4-(propylamino)benzenesulfonamide (CID 62147451) is N-(2,2-dimethylpropyl)-4-(propylamino)benzenesulfonamide.
What is the SMILES notation for N-(2,2-dimethylpropyl)-4-(propylamino)benzenesulfonamide?
The canonical SMILES for N-(2,2-dimethylpropyl)-4-(propylamino)benzenesulfonamide is CCCNc1ccc(S(=O)(=O)NCC(C)(C)C)cc1.
What is the InChIKey of N-(2,2-dimethylpropyl)-4-(propylamino)benzenesulfonamide?
The InChIKey is DJUUWJJAZAAXFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-5-10-15-12-6-8-13(9-7-12)19(17,18)16-11-14(2,3)4/h6-9,15-16H,5,10-11H2,1-4H3.
What are the key properties of N-(2,2-dimethylpropyl)-4-(propylamino)benzenesulfonamide?
N-(2,2-dimethylpropyl)-4-(propylamino)benzenesulfonamide has a molecular weight of 284.43 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-4-(propylamino)benzenesulfonamide is sourced from PubChem (CID 62147451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).