N-(4-ethylphenyl)-1-(propylamino)propane-2-sulfonamide

C14H24N2O2S — CID 107278431

IUPACN-(4-ethylphenyl)-1-(propylamino)propane-2-sulfonamide
SMILESCCCNCC(C)S(=O)(=O)Nc1ccc(CC)cc1
InChIInChI=1S/C14H24N2O2S/c1-4-10-15-11-12(3)19(17,18)16-14-8-6-13(5-2)7-9-14/h6-9,12,15-16H,4-5,10-11H2,1-3H3
InChIKeyQOCRDKMTADYKIC-UHFFFAOYSA-N
MW284.43 g/mol
LogP2.38
Rot. Bonds8

About N-(4-ethylphenyl)-1-(propylamino)propane-2-sulfonamide

N-(4-ethylphenyl)-1-(propylamino)propane-2-sulfonamide (PubChem CID 107278431) has the molecular formula C14H24N2O2S and a molecular weight of 284.43 g/mol. Its IUPAC name is N-(4-ethylphenyl)-1-(propylamino)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-1-(propylamino)propane-2-sulfonamide
PubChem CID107278431
Molecular FormulaC14H24N2O2S
Molecular Weight284.43 g/mol
Exact Mass284.16
IUPAC NameN-(4-ethylphenyl)-1-(propylamino)propane-2-sulfonamide
SMILESCCCNCC(C)S(=O)(=O)Nc1ccc(CC)cc1
InChIInChI=1S/C14H24N2O2S/c1-4-10-15-11-12(3)19(17,18)16-14-8-6-13(5-2)7-9-14/h6-9,12,15-16H,4-5,10-11H2,1-3H3
InChIKeyQOCRDKMTADYKIC-UHFFFAOYSA-N
XLogP2.38
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 52.38
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-(4-bromo-3-methoxyphenyl)-1-(propylamino)propane-2-sulfonamide
CID 106076653
N-(4-ethylphenyl)-4-(propylamino)butane-1-sulfonamide
CID 107236784
1-(propylamino)-N-(2,4,5-trifluorophenyl)propane-2-sulfonamide
CID 106056088
1-(propylamino)-N-(2,4,6-trifluorophenyl)propane-2-sulfonamide
CID 106069542
N-(1-methylpyrazol-3-yl)-1-(propylamino)propane-2-sulfonamide
CID 114135430
N-(2,3-difluorophenyl)-1-(propylamino)propane-2-sulfonamide
CID 106017484
1-(cyclopropylamino)-N-(4-propylphenyl)propane-2-sulfonamide
CID 106026307
N-(4-ethylphenyl)ethanesulfonamide
CID 896511
N-(5-bromo-2-chlorophenyl)-1-(propylamino)propane-2-sulfonamide
CID 106056724
N-[2-(4-ethylphenyl)ethyl]propan-1-amine
CID 62550246
N-[2-(difluoromethoxy)phenyl]-1-(propylamino)propane-2-sulfonamide
CID 106030472
N-(2,5-dimethoxyphenyl)-1-(propylamino)propane-2-sulfonamide
CID 106058883

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-1-(propylamino)propane-2-sulfonamide?
The IUPAC name of N-(4-ethylphenyl)-1-(propylamino)propane-2-sulfonamide (CID 107278431) is N-(4-ethylphenyl)-1-(propylamino)propane-2-sulfonamide.
What is the SMILES notation for N-(4-ethylphenyl)-1-(propylamino)propane-2-sulfonamide?
The canonical SMILES for N-(4-ethylphenyl)-1-(propylamino)propane-2-sulfonamide is CCCNCC(C)S(=O)(=O)Nc1ccc(CC)cc1.
What is the InChIKey of N-(4-ethylphenyl)-1-(propylamino)propane-2-sulfonamide?
The InChIKey is QOCRDKMTADYKIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-4-10-15-11-12(3)19(17,18)16-14-8-6-13(5-2)7-9-14/h6-9,12,15-16H,4-5,10-11H2,1-3H3.
What are the key properties of N-(4-ethylphenyl)-1-(propylamino)propane-2-sulfonamide?
N-(4-ethylphenyl)-1-(propylamino)propane-2-sulfonamide has a molecular weight of 284.43 g/mol, XLogP of 2.38, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-1-(propylamino)propane-2-sulfonamide is sourced from PubChem (CID 107278431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).