5-chloro-N-(1-phenylethyl)thiophene-2-sulfonamide

C12H12ClNO2S2 — CID 2943482

IUPAC5-chloro-N-(1-phenylethyl)thiophene-2-sulfonamide
SMILESCC(NS(=O)(=O)c1ccc(Cl)s1)c1ccccc1
InChIInChI=1S/C12H12ClNO2S2/c1-9(10-5-3-2-4-6-10)14-18(15,16)12-8-7-11(13)17-12/h2-9,14H,1H3
InChIKeyPGANZZYWWSKYBB-UHFFFAOYSA-N
MW301.82 g/mol
LogP3.44
Rot. Bonds4

About 5-chloro-N-(1-phenylethyl)thiophene-2-sulfonamide

5-chloro-N-(1-phenylethyl)thiophene-2-sulfonamide (PubChem CID 2943482) has the molecular formula C12H12ClNO2S2 and a molecular weight of 301.82 g/mol. Its IUPAC name is 5-chloro-N-(1-phenylethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(1-phenylethyl)thiophene-2-sulfonamide
PubChem CID2943482
Molecular FormulaC12H12ClNO2S2
Molecular Weight301.82 g/mol
Exact Mass301.00
IUPAC Name5-chloro-N-(1-phenylethyl)thiophene-2-sulfonamide
SMILESCC(NS(=O)(=O)c1ccc(Cl)s1)c1ccccc1
InChIInChI=1S/C12H12ClNO2S2/c1-9(10-5-3-2-4-6-10)14-18(15,16)12-8-7-11(13)17-12/h2-9,14H,1H3
InChIKeyPGANZZYWWSKYBB-UHFFFAOYSA-N
XLogP3.44
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(1-phenylethyl)thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-(1-phenylethyl)thiophene-2-sulfonamide (CID 2943482) is 5-chloro-N-(1-phenylethyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-(1-phenylethyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-(1-phenylethyl)thiophene-2-sulfonamide is CC(NS(=O)(=O)c1ccc(Cl)s1)c1ccccc1.
What is the InChIKey of 5-chloro-N-(1-phenylethyl)thiophene-2-sulfonamide?
The InChIKey is PGANZZYWWSKYBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO2S2/c1-9(10-5-3-2-4-6-10)14-18(15,16)12-8-7-11(13)17-12/h2-9,14H,1H3.
What are the key properties of 5-chloro-N-(1-phenylethyl)thiophene-2-sulfonamide?
5-chloro-N-(1-phenylethyl)thiophene-2-sulfonamide has a molecular weight of 301.82 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(1-phenylethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 2943482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).