2,5-dichloro-N-(2-phenylpropyl)thiophene-3-sulfonamide

C13H13Cl2NO2S2 — CID 55365000

IUPAC2,5-dichloro-N-(2-phenylpropyl)thiophene-3-sulfonamide
SMILESCC(CNS(=O)(=O)c1cc(Cl)sc1Cl)c1ccccc1
InChIInChI=1S/C13H13Cl2NO2S2/c1-9(10-5-3-2-4-6-10)8-16-20(17,18)11-7-12(14)19-13(11)15/h2-7,9,16H,8H2,1H3
InChIKeyBVPCIYNLGDEJJZ-UHFFFAOYSA-N
MW350.29 g/mol
LogP4.14
Rot. Bonds5

About 2,5-dichloro-N-(2-phenylpropyl)thiophene-3-sulfonamide

2,5-dichloro-N-(2-phenylpropyl)thiophene-3-sulfonamide (PubChem CID 55365000) has the molecular formula C13H13Cl2NO2S2 and a molecular weight of 350.29 g/mol. Its IUPAC name is 2,5-dichloro-N-(2-phenylpropyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-(2-phenylpropyl)thiophene-3-sulfonamide
PubChem CID55365000
Molecular FormulaC13H13Cl2NO2S2
Molecular Weight350.29 g/mol
Exact Mass348.98
IUPAC Name2,5-dichloro-N-(2-phenylpropyl)thiophene-3-sulfonamide
SMILESCC(CNS(=O)(=O)c1cc(Cl)sc1Cl)c1ccccc1
InChIInChI=1S/C13H13Cl2NO2S2/c1-9(10-5-3-2-4-6-10)8-16-20(17,18)11-7-12(14)19-13(11)15/h2-7,9,16H,8H2,1H3
InChIKeyBVPCIYNLGDEJJZ-UHFFFAOYSA-N
XLogP4.14
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.29
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dichloro-N-(3-chloro-2-methylpropyl)thiophene-3-sulfonamide
CID 65036898
N-benzyl-2,5-dichlorothiophene-3-sulfonamide
CID 39791947
N-(2-amino-4-methylpentyl)-2,5-dichlorothiophene-3-sulfonamide
CID 43606292
5-chloro-2-methoxy-N-[(2S)-2-phenylpropyl]benzenesulfonamide
CID 100551051
2,5-dichloro-N-ethylthiophene-3-sulfonamide
CID 2805979
5-bromo-2-chloro-N-(2-phenylpropyl)pyridine-3-sulfonamide
CID 61072361
2-chloro-4-methyl-N-(2-phenylpropyl)-1,3-thiazole-5-sulfonamide
CID 42956033
N-(2-phenylpropyl)methanesulfonamide
CID 47121755
4-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-N-[2-(dimethylamino)-2-phenylethyl]benzamide
CID 4969477
N-(3-bromobutyl)-2,5-dichlorothiophene-3-sulfonamide
CID 114297747
5-methyl-N-(2-phenylpropyl)thiophene-2-sulfonamide
CID 47109865
1-chloro-N-(2-phenylpropyl)methanesulfonamide
CID 63665326

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(2-phenylpropyl)thiophene-3-sulfonamide?
The IUPAC name of 2,5-dichloro-N-(2-phenylpropyl)thiophene-3-sulfonamide (CID 55365000) is 2,5-dichloro-N-(2-phenylpropyl)thiophene-3-sulfonamide.
What is the SMILES notation for 2,5-dichloro-N-(2-phenylpropyl)thiophene-3-sulfonamide?
The canonical SMILES for 2,5-dichloro-N-(2-phenylpropyl)thiophene-3-sulfonamide is CC(CNS(=O)(=O)c1cc(Cl)sc1Cl)c1ccccc1.
What is the InChIKey of 2,5-dichloro-N-(2-phenylpropyl)thiophene-3-sulfonamide?
The InChIKey is BVPCIYNLGDEJJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2NO2S2/c1-9(10-5-3-2-4-6-10)8-16-20(17,18)11-7-12(14)19-13(11)15/h2-7,9,16H,8H2,1H3.
What are the key properties of 2,5-dichloro-N-(2-phenylpropyl)thiophene-3-sulfonamide?
2,5-dichloro-N-(2-phenylpropyl)thiophene-3-sulfonamide has a molecular weight of 350.29 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(2-phenylpropyl)thiophene-3-sulfonamide is sourced from PubChem (CID 55365000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).