N-[4-(4-amino-2-methylbutan-2-yl)phenyl]propane-1-sulfonamide

C14H24N2O2S — CID 79830757

IUPACN-[4-(4-amino-2-methylbutan-2-yl)phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(C(C)(C)CCN)cc1
InChIInChI=1S/C14H24N2O2S/c1-4-11-19(17,18)16-13-7-5-12(6-8-13)14(2,3)9-10-15/h5-8,16H,4,9-11,15H2,1-3H3
InChIKeyXFEJFARQWWROTF-UHFFFAOYSA-N
MW284.43 g/mol
LogP2.46
Rot. Bonds7

About N-[4-(4-amino-2-methylbutan-2-yl)phenyl]propane-1-sulfonamide

N-[4-(4-amino-2-methylbutan-2-yl)phenyl]propane-1-sulfonamide (PubChem CID 79830757) has the molecular formula C14H24N2O2S and a molecular weight of 284.43 g/mol. Its IUPAC name is N-[4-(4-amino-2-methylbutan-2-yl)phenyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[4-(4-amino-2-methylbutan-2-yl)phenyl]propane-1-sulfonamide
PubChem CID79830757
Molecular FormulaC14H24N2O2S
Molecular Weight284.43 g/mol
Exact Mass284.16
IUPAC NameN-[4-(4-amino-2-methylbutan-2-yl)phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(C(C)(C)CCN)cc1
InChIInChI=1S/C14H24N2O2S/c1-4-11-19(17,18)16-13-7-5-12(6-8-13)14(2,3)9-10-15/h5-8,16H,4,9-11,15H2,1-3H3
InChIKeyXFEJFARQWWROTF-UHFFFAOYSA-N
XLogP2.46
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(tert-butylamino)phenyl]propane-1-sulfonamide
CID 112984927
N-[4-(aminomethyl)phenyl]propane-1-sulfonamide
CID 11002376
N-(4-tert-butylphenyl)-4-(propylsulfonylamino)benzamide
CID 142682977
2-amino-N-(4-propylphenyl)ethanesulfonamide
CID 43378670
N-[4-[(1S)-1-aminoethyl]phenyl]propane-1-sulfonamide
CID 30120117
2-amino-N-(4-butylphenyl)ethanesulfonamide
CID 43378477
N-[4-(4-tert-butylanilino)phenyl]ethanesulfonamide
CID 112986729
N-[4-(4-methylanilino)phenyl]propane-1-sulfonamide
CID 112986049
N-(4-tert-butylphenyl)-3-(ethylamino)propane-1-sulfonamide
CID 106057303
N-(1-amino-2,4-dimethylpentan-2-yl)-4-(propylsulfonylamino)benzamide
CID 119598442
1-(1-amino-2-methylpropan-2-yl)-4-(dimethylsulfamoylamino)benzene
CID 43624625
N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-(propylsulfonylamino)benzamide;hydrochloride
CID 119654023

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-amino-2-methylbutan-2-yl)phenyl]propane-1-sulfonamide?
The IUPAC name of N-[4-(4-amino-2-methylbutan-2-yl)phenyl]propane-1-sulfonamide (CID 79830757) is N-[4-(4-amino-2-methylbutan-2-yl)phenyl]propane-1-sulfonamide.
What is the SMILES notation for N-[4-(4-amino-2-methylbutan-2-yl)phenyl]propane-1-sulfonamide?
The canonical SMILES for N-[4-(4-amino-2-methylbutan-2-yl)phenyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1ccc(C(C)(C)CCN)cc1.
What is the InChIKey of N-[4-(4-amino-2-methylbutan-2-yl)phenyl]propane-1-sulfonamide?
The InChIKey is XFEJFARQWWROTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-4-11-19(17,18)16-13-7-5-12(6-8-13)14(2,3)9-10-15/h5-8,16H,4,9-11,15H2,1-3H3.
What are the key properties of N-[4-(4-amino-2-methylbutan-2-yl)phenyl]propane-1-sulfonamide?
N-[4-(4-amino-2-methylbutan-2-yl)phenyl]propane-1-sulfonamide has a molecular weight of 284.43 g/mol, XLogP of 2.46, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-amino-2-methylbutan-2-yl)phenyl]propane-1-sulfonamide is sourced from PubChem (CID 79830757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).