N-[2-(4-tert-butylphenyl)pentyl]propane-2-sulfonamide

C18H31NO2S — CID 10829935

IUPACN-[2-(4-tert-butylphenyl)pentyl]propane-2-sulfonamide
SMILESCCCC(CNS(=O)(=O)C(C)C)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H31NO2S/c1-7-8-16(13-19-22(20,21)14(2)3)15-9-11-17(12-10-15)18(4,5)6/h9-12,14,16,19H,7-8,13H2,1-6H3
InChIKeyPLFJLRCHPAGOKH-UHFFFAOYSA-N
MW325.52 g/mol
LogP4.20
Rot. Bonds7

About N-[2-(4-tert-butylphenyl)pentyl]propane-2-sulfonamide

N-[2-(4-tert-butylphenyl)pentyl]propane-2-sulfonamide (PubChem CID 10829935) has the molecular formula C18H31NO2S and a molecular weight of 325.52 g/mol. Its IUPAC name is N-[2-(4-tert-butylphenyl)pentyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(4-tert-butylphenyl)pentyl]propane-2-sulfonamide
PubChem CID10829935
Molecular FormulaC18H31NO2S
Molecular Weight325.52 g/mol
Exact Mass325.21
IUPAC NameN-[2-(4-tert-butylphenyl)pentyl]propane-2-sulfonamide
SMILESCCCC(CNS(=O)(=O)C(C)C)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H31NO2S/c1-7-8-16(13-19-22(20,21)14(2)3)15-9-11-17(12-10-15)18(4,5)6/h9-12,14,16,19H,7-8,13H2,1-6H3
InChIKeyPLFJLRCHPAGOKH-UHFFFAOYSA-N
XLogP4.20
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.52
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-(4-tert-butylphenyl)pentyl]propane-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-tert-butylphenyl)pentyl]propane-2-sulfonamide?
The IUPAC name of N-[2-(4-tert-butylphenyl)pentyl]propane-2-sulfonamide (CID 10829935) is N-[2-(4-tert-butylphenyl)pentyl]propane-2-sulfonamide.
What is the SMILES notation for N-[2-(4-tert-butylphenyl)pentyl]propane-2-sulfonamide?
The canonical SMILES for N-[2-(4-tert-butylphenyl)pentyl]propane-2-sulfonamide is CCCC(CNS(=O)(=O)C(C)C)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-[2-(4-tert-butylphenyl)pentyl]propane-2-sulfonamide?
The InChIKey is PLFJLRCHPAGOKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO2S/c1-7-8-16(13-19-22(20,21)14(2)3)15-9-11-17(12-10-15)18(4,5)6/h9-12,14,16,19H,7-8,13H2,1-6H3.
What are the key properties of N-[2-(4-tert-butylphenyl)pentyl]propane-2-sulfonamide?
N-[2-(4-tert-butylphenyl)pentyl]propane-2-sulfonamide has a molecular weight of 325.52 g/mol, XLogP of 4.20, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-tert-butylphenyl)pentyl]propane-2-sulfonamide is sourced from PubChem (CID 10829935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).