N,4-dimethyl-N-(1-thiophen-2-ylethyl)benzenesulfonamide

C14H17NO2S2 — CID 47129065

IUPACN,4-dimethyl-N-(1-thiophen-2-ylethyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)C(C)c2cccs2)cc1
InChIInChI=1S/C14H17NO2S2/c1-11-6-8-13(9-7-11)19(16,17)15(3)12(2)14-5-4-10-18-14/h4-10,12H,1-3H3
InChIKeyFTZCLSNONBNDMZ-UHFFFAOYSA-N
MW295.43 g/mol
LogP3.44
Rot. Bonds4

About N,4-dimethyl-N-(1-thiophen-2-ylethyl)benzenesulfonamide

N,4-dimethyl-N-(1-thiophen-2-ylethyl)benzenesulfonamide (PubChem CID 47129065) has the molecular formula C14H17NO2S2 and a molecular weight of 295.43 g/mol. Its IUPAC name is N,4-dimethyl-N-(1-thiophen-2-ylethyl)benzenesulfonamide.

Molecular Properties

Compound NameN,4-dimethyl-N-(1-thiophen-2-ylethyl)benzenesulfonamide
PubChem CID47129065
Molecular FormulaC14H17NO2S2
Molecular Weight295.43 g/mol
Exact Mass295.07
IUPAC NameN,4-dimethyl-N-(1-thiophen-2-ylethyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)C(C)c2cccs2)cc1
InChIInChI=1S/C14H17NO2S2/c1-11-6-8-13(9-7-11)19(16,17)15(3)12(2)14-5-4-10-18-14/h4-10,12H,1-3H3
InChIKeyFTZCLSNONBNDMZ-UHFFFAOYSA-N
XLogP3.44
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-(1-thiophen-2-ylethyl)benzenesulfonamide?
The IUPAC name of N,4-dimethyl-N-(1-thiophen-2-ylethyl)benzenesulfonamide (CID 47129065) is N,4-dimethyl-N-(1-thiophen-2-ylethyl)benzenesulfonamide.
What is the SMILES notation for N,4-dimethyl-N-(1-thiophen-2-ylethyl)benzenesulfonamide?
The canonical SMILES for N,4-dimethyl-N-(1-thiophen-2-ylethyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)N(C)C(C)c2cccs2)cc1.
What is the InChIKey of N,4-dimethyl-N-(1-thiophen-2-ylethyl)benzenesulfonamide?
The InChIKey is FTZCLSNONBNDMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2S2/c1-11-6-8-13(9-7-11)19(16,17)15(3)12(2)14-5-4-10-18-14/h4-10,12H,1-3H3.
What are the key properties of N,4-dimethyl-N-(1-thiophen-2-ylethyl)benzenesulfonamide?
N,4-dimethyl-N-(1-thiophen-2-ylethyl)benzenesulfonamide has a molecular weight of 295.43 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-(1-thiophen-2-ylethyl)benzenesulfonamide is sourced from PubChem (CID 47129065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).