3-chloro-N-(3-phenylpropyl)-1-benzothiophene-2-sulfonamide

C17H16ClNO2S2 — CID 166334980

IUPAC3-chloro-N-(3-phenylpropyl)-1-benzothiophene-2-sulfonamide
SMILESO=S(=O)(NCCCc1ccccc1)c1sc2ccccc2c1Cl
InChIInChI=1S/C17H16ClNO2S2/c18-16-14-10-4-5-11-15(14)22-17(16)23(20,21)19-12-6-9-13-7-2-1-3-8-13/h1-5,7-8,10-11,19H,6,9,12H2
InChIKeyDHZMMQWRGAPMAL-UHFFFAOYSA-N
MW365.91 g/mol
LogP4.47
Rot. Bonds6

About 3-chloro-N-(3-phenylpropyl)-1-benzothiophene-2-sulfonamide

3-chloro-N-(3-phenylpropyl)-1-benzothiophene-2-sulfonamide (PubChem CID 166334980) has the molecular formula C17H16ClNO2S2 and a molecular weight of 365.91 g/mol. Its IUPAC name is 3-chloro-N-(3-phenylpropyl)-1-benzothiophene-2-sulfonamide.

Molecular Properties

Compound Name3-chloro-N-(3-phenylpropyl)-1-benzothiophene-2-sulfonamide
PubChem CID166334980
Molecular FormulaC17H16ClNO2S2
Molecular Weight365.91 g/mol
Exact Mass365.03
IUPAC Name3-chloro-N-(3-phenylpropyl)-1-benzothiophene-2-sulfonamide
SMILESO=S(=O)(NCCCc1ccccc1)c1sc2ccccc2c1Cl
InChIInChI=1S/C17H16ClNO2S2/c18-16-14-10-4-5-11-15(14)22-17(16)23(20,21)19-12-6-9-13-7-2-1-3-8-13/h1-5,7-8,10-11,19H,6,9,12H2
InChIKeyDHZMMQWRGAPMAL-UHFFFAOYSA-N
XLogP4.47
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.91
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(3-phenylpropyl)-1-benzothiophene-2-sulfonamide?
The IUPAC name of 3-chloro-N-(3-phenylpropyl)-1-benzothiophene-2-sulfonamide (CID 166334980) is 3-chloro-N-(3-phenylpropyl)-1-benzothiophene-2-sulfonamide.
What is the SMILES notation for 3-chloro-N-(3-phenylpropyl)-1-benzothiophene-2-sulfonamide?
The canonical SMILES for 3-chloro-N-(3-phenylpropyl)-1-benzothiophene-2-sulfonamide is O=S(=O)(NCCCc1ccccc1)c1sc2ccccc2c1Cl.
What is the InChIKey of 3-chloro-N-(3-phenylpropyl)-1-benzothiophene-2-sulfonamide?
The InChIKey is DHZMMQWRGAPMAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO2S2/c18-16-14-10-4-5-11-15(14)22-17(16)23(20,21)19-12-6-9-13-7-2-1-3-8-13/h1-5,7-8,10-11,19H,6,9,12H2.
What are the key properties of 3-chloro-N-(3-phenylpropyl)-1-benzothiophene-2-sulfonamide?
3-chloro-N-(3-phenylpropyl)-1-benzothiophene-2-sulfonamide has a molecular weight of 365.91 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(3-phenylpropyl)-1-benzothiophene-2-sulfonamide is sourced from PubChem (CID 166334980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).