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

C17H29NO2S — CID 10519128

IUPACN-[2-(4-tert-butylphenyl)butyl]propane-2-sulfonamide
SMILESCCC(CNS(=O)(=O)C(C)C)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H29NO2S/c1-7-14(12-18-21(19,20)13(2)3)15-8-10-16(11-9-15)17(4,5)6/h8-11,13-14,18H,7,12H2,1-6H3
InChIKeyVYXUHCXIPOIIAP-UHFFFAOYSA-N
MW311.49 g/mol
LogP3.81
Rot. Bonds6

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

N-[2-(4-tert-butylphenyl)butyl]propane-2-sulfonamide (PubChem CID 10519128) has the molecular formula C17H29NO2S and a molecular weight of 311.49 g/mol. Its IUPAC name is N-[2-(4-tert-butylphenyl)butyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(4-tert-butylphenyl)butyl]propane-2-sulfonamide
PubChem CID10519128
Molecular FormulaC17H29NO2S
Molecular Weight311.49 g/mol
Exact Mass311.19
IUPAC NameN-[2-(4-tert-butylphenyl)butyl]propane-2-sulfonamide
SMILESCCC(CNS(=O)(=O)C(C)C)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H29NO2S/c1-7-14(12-18-21(19,20)13(2)3)15-8-10-16(11-9-15)17(4,5)6/h8-11,13-14,18H,7,12H2,1-6H3
InChIKeyVYXUHCXIPOIIAP-UHFFFAOYSA-N
XLogP3.81
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.49
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-tert-butylphenyl)butyl]propane-2-sulfonamide?
The IUPAC name of N-[2-(4-tert-butylphenyl)butyl]propane-2-sulfonamide (CID 10519128) is N-[2-(4-tert-butylphenyl)butyl]propane-2-sulfonamide.
What is the SMILES notation for N-[2-(4-tert-butylphenyl)butyl]propane-2-sulfonamide?
The canonical SMILES for N-[2-(4-tert-butylphenyl)butyl]propane-2-sulfonamide is CCC(CNS(=O)(=O)C(C)C)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-[2-(4-tert-butylphenyl)butyl]propane-2-sulfonamide?
The InChIKey is VYXUHCXIPOIIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2S/c1-7-14(12-18-21(19,20)13(2)3)15-8-10-16(11-9-15)17(4,5)6/h8-11,13-14,18H,7,12H2,1-6H3.
What are the key properties of N-[2-(4-tert-butylphenyl)butyl]propane-2-sulfonamide?
N-[2-(4-tert-butylphenyl)butyl]propane-2-sulfonamide has a molecular weight of 311.49 g/mol, XLogP of 3.81, 6 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)butyl]propane-2-sulfonamide is sourced from PubChem (CID 10519128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).