N-[4-(tert-butylamino)phenyl]propane-1-sulfonamide

C13H22N2O2S — CID 112984927

IUPACN-[4-(tert-butylamino)phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(NC(C)(C)C)cc1
InChIInChI=1S/C13H22N2O2S/c1-5-10-18(16,17)15-12-8-6-11(7-9-12)14-13(2,3)4/h6-9,14-15H,5,10H2,1-4H3
InChIKeyQQIYGTGBQQJKOL-UHFFFAOYSA-N
MW270.40 g/mol
LogP3.05
Rot. Bonds5

About N-[4-(tert-butylamino)phenyl]propane-1-sulfonamide

N-[4-(tert-butylamino)phenyl]propane-1-sulfonamide (PubChem CID 112984927) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is N-[4-(tert-butylamino)phenyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[4-(tert-butylamino)phenyl]propane-1-sulfonamide
PubChem CID112984927
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC NameN-[4-(tert-butylamino)phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(NC(C)(C)C)cc1
InChIInChI=1S/C13H22N2O2S/c1-5-10-18(16,17)15-12-8-6-11(7-9-12)14-13(2,3)4/h6-9,14-15H,5,10H2,1-4H3
InChIKeyQQIYGTGBQQJKOL-UHFFFAOYSA-N
XLogP3.05
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(4-amino-2-methylbutan-2-yl)phenyl]propane-1-sulfonamide
CID 79830757
N-[4-(4-methylanilino)phenyl]propane-1-sulfonamide
CID 112986049
N-[4-(aminomethyl)phenyl]propane-1-sulfonamide
CID 11002376
N-(4-tert-butylphenyl)-4-(propylsulfonylamino)benzamide
CID 142682977
N-[4-(dipropylamino)phenyl]propane-1-sulfonamide
CID 112985658
N-[4-[(dimethylamino)methyl]phenyl]propane-1-sulfonamide
CID 64585715
N-[4-[(1S)-1-aminoethyl]phenyl]propane-1-sulfonamide
CID 30120117
N-[4-[(4-methylphenyl)methylamino]phenyl]propane-1-sulfonamide
CID 112982187
N-[4-(pyridin-4-ylmethylamino)phenyl]propane-1-sulfonamide
CID 112983175
N-(4-tert-butylphenyl)-3-(ethylamino)propane-1-sulfonamide
CID 106057303
2-[4-(propylsulfonylamino)phenyl]acetic acid
CID 16786405
N-[4-(4-methoxyanilino)phenyl]propane-1-sulfonamide
CID 112987552

Frequently Asked Questions

What is the IUPAC name of N-[4-(tert-butylamino)phenyl]propane-1-sulfonamide?
The IUPAC name of N-[4-(tert-butylamino)phenyl]propane-1-sulfonamide (CID 112984927) is N-[4-(tert-butylamino)phenyl]propane-1-sulfonamide.
What is the SMILES notation for N-[4-(tert-butylamino)phenyl]propane-1-sulfonamide?
The canonical SMILES for N-[4-(tert-butylamino)phenyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1ccc(NC(C)(C)C)cc1.
What is the InChIKey of N-[4-(tert-butylamino)phenyl]propane-1-sulfonamide?
The InChIKey is QQIYGTGBQQJKOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-5-10-18(16,17)15-12-8-6-11(7-9-12)14-13(2,3)4/h6-9,14-15H,5,10H2,1-4H3.
What are the key properties of N-[4-(tert-butylamino)phenyl]propane-1-sulfonamide?
N-[4-(tert-butylamino)phenyl]propane-1-sulfonamide has a molecular weight of 270.40 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(tert-butylamino)phenyl]propane-1-sulfonamide is sourced from PubChem (CID 112984927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).