2,5-dichloro-N-(thiophen-2-ylmethyl)benzenesulfonamide

C11H9Cl2NO2S2 — CID 898422

IUPAC2,5-dichloro-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1cccs1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C11H9Cl2NO2S2/c12-8-3-4-10(13)11(6-8)18(15,16)14-7-9-2-1-5-17-9/h1-6,14H,7H2
InChIKeySKRYHFIGELLUQX-UHFFFAOYSA-N
MW322.24 g/mol
LogP3.53
Rot. Bonds4

About 2,5-dichloro-N-(thiophen-2-ylmethyl)benzenesulfonamide

2,5-dichloro-N-(thiophen-2-ylmethyl)benzenesulfonamide (PubChem CID 898422) has the molecular formula C11H9Cl2NO2S2 and a molecular weight of 322.24 g/mol. Its IUPAC name is 2,5-dichloro-N-(thiophen-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-(thiophen-2-ylmethyl)benzenesulfonamide
PubChem CID898422
Molecular FormulaC11H9Cl2NO2S2
Molecular Weight322.24 g/mol
Exact Mass320.95
IUPAC Name2,5-dichloro-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1cccs1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C11H9Cl2NO2S2/c12-8-3-4-10(13)11(6-8)18(15,16)14-7-9-2-1-5-17-9/h1-6,14H,7H2
InChIKeySKRYHFIGELLUQX-UHFFFAOYSA-N
XLogP3.53
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.24
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-(thiophen-2-ylmethyl)benzenesulfonamide (CID 898422) is 2,5-dichloro-N-(thiophen-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-(thiophen-2-ylmethyl)benzenesulfonamide is O=S(=O)(NCc1cccs1)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The InChIKey is SKRYHFIGELLUQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2NO2S2/c12-8-3-4-10(13)11(6-8)18(15,16)14-7-9-2-1-5-17-9/h1-6,14H,7H2.
What are the key properties of 2,5-dichloro-N-(thiophen-2-ylmethyl)benzenesulfonamide?
2,5-dichloro-N-(thiophen-2-ylmethyl)benzenesulfonamide has a molecular weight of 322.24 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(thiophen-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 898422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).