N-[1-(4-methylphenyl)propyl]thiophene-2-sulfonamide

C14H17NO2S2 — CID 4768760

IUPACN-[1-(4-methylphenyl)propyl]thiophene-2-sulfonamide
SMILESCCC(NS(=O)(=O)c1cccs1)c1ccc(C)cc1
InChIInChI=1S/C14H17NO2S2/c1-3-13(12-8-6-11(2)7-9-12)15-19(16,17)14-5-4-10-18-14/h4-10,13,15H,3H2,1-2H3
InChIKeyKKTDLBLUEQXZPJ-UHFFFAOYSA-N
MW295.43 g/mol
LogP3.49
Rot. Bonds5

About N-[1-(4-methylphenyl)propyl]thiophene-2-sulfonamide

N-[1-(4-methylphenyl)propyl]thiophene-2-sulfonamide (PubChem CID 4768760) has the molecular formula C14H17NO2S2 and a molecular weight of 295.43 g/mol. Its IUPAC name is N-[1-(4-methylphenyl)propyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[1-(4-methylphenyl)propyl]thiophene-2-sulfonamide
PubChem CID4768760
Molecular FormulaC14H17NO2S2
Molecular Weight295.43 g/mol
Exact Mass295.07
IUPAC NameN-[1-(4-methylphenyl)propyl]thiophene-2-sulfonamide
SMILESCCC(NS(=O)(=O)c1cccs1)c1ccc(C)cc1
InChIInChI=1S/C14H17NO2S2/c1-3-13(12-8-6-11(2)7-9-12)15-19(16,17)14-5-4-10-18-14/h4-10,13,15H,3H2,1-2H3
InChIKeyKKTDLBLUEQXZPJ-UHFFFAOYSA-N
XLogP3.49
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylphenyl)propyl]thiophene-2-sulfonamide?
The IUPAC name of N-[1-(4-methylphenyl)propyl]thiophene-2-sulfonamide (CID 4768760) is N-[1-(4-methylphenyl)propyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[1-(4-methylphenyl)propyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[1-(4-methylphenyl)propyl]thiophene-2-sulfonamide is CCC(NS(=O)(=O)c1cccs1)c1ccc(C)cc1.
What is the InChIKey of N-[1-(4-methylphenyl)propyl]thiophene-2-sulfonamide?
The InChIKey is KKTDLBLUEQXZPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2S2/c1-3-13(12-8-6-11(2)7-9-12)15-19(16,17)14-5-4-10-18-14/h4-10,13,15H,3H2,1-2H3.
What are the key properties of N-[1-(4-methylphenyl)propyl]thiophene-2-sulfonamide?
N-[1-(4-methylphenyl)propyl]thiophene-2-sulfonamide has a molecular weight of 295.43 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylphenyl)propyl]thiophene-2-sulfonamide is sourced from PubChem (CID 4768760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).