N-ethyl-7-methyl-N-pyrrolidin-3-yl-1-benzothiophene-2-sulfonamide

C15H20N2O2S2 — CID 167753269

IUPACN-ethyl-7-methyl-N-pyrrolidin-3-yl-1-benzothiophene-2-sulfonamide
SMILESCCN(C1CCNC1)S(=O)(=O)c1cc2cccc(C)c2s1
InChIInChI=1S/C15H20N2O2S2/c1-3-17(13-7-8-16-10-13)21(18,19)14-9-12-6-4-5-11(2)15(12)20-14/h4-6,9,13,16H,3,7-8,10H2,1-2H3
InChIKeyKNYABJPTQPNIBR-UHFFFAOYSA-N
MW324.47 g/mol
LogP2.58
Rot. Bonds4

About N-ethyl-7-methyl-N-pyrrolidin-3-yl-1-benzothiophene-2-sulfonamide

N-ethyl-7-methyl-N-pyrrolidin-3-yl-1-benzothiophene-2-sulfonamide (PubChem CID 167753269) has the molecular formula C15H20N2O2S2 and a molecular weight of 324.47 g/mol. Its IUPAC name is N-ethyl-7-methyl-N-pyrrolidin-3-yl-1-benzothiophene-2-sulfonamide.

Molecular Properties

Compound NameN-ethyl-7-methyl-N-pyrrolidin-3-yl-1-benzothiophene-2-sulfonamide
PubChem CID167753269
Molecular FormulaC15H20N2O2S2
Molecular Weight324.47 g/mol
Exact Mass324.10
IUPAC NameN-ethyl-7-methyl-N-pyrrolidin-3-yl-1-benzothiophene-2-sulfonamide
SMILESCCN(C1CCNC1)S(=O)(=O)c1cc2cccc(C)c2s1
InChIInChI=1S/C15H20N2O2S2/c1-3-17(13-7-8-16-10-13)21(18,19)14-9-12-6-4-5-11(2)15(12)20-14/h4-6,9,13,16H,3,7-8,10H2,1-2H3
InChIKeyKNYABJPTQPNIBR-UHFFFAOYSA-N
XLogP2.58
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-7-methyl-N-pyrrolidin-3-yl-1-benzothiophene-2-sulfonamide?
The IUPAC name of N-ethyl-7-methyl-N-pyrrolidin-3-yl-1-benzothiophene-2-sulfonamide (CID 167753269) is N-ethyl-7-methyl-N-pyrrolidin-3-yl-1-benzothiophene-2-sulfonamide.
What is the SMILES notation for N-ethyl-7-methyl-N-pyrrolidin-3-yl-1-benzothiophene-2-sulfonamide?
The canonical SMILES for N-ethyl-7-methyl-N-pyrrolidin-3-yl-1-benzothiophene-2-sulfonamide is CCN(C1CCNC1)S(=O)(=O)c1cc2cccc(C)c2s1.
What is the InChIKey of N-ethyl-7-methyl-N-pyrrolidin-3-yl-1-benzothiophene-2-sulfonamide?
The InChIKey is KNYABJPTQPNIBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S2/c1-3-17(13-7-8-16-10-13)21(18,19)14-9-12-6-4-5-11(2)15(12)20-14/h4-6,9,13,16H,3,7-8,10H2,1-2H3.
What are the key properties of N-ethyl-7-methyl-N-pyrrolidin-3-yl-1-benzothiophene-2-sulfonamide?
N-ethyl-7-methyl-N-pyrrolidin-3-yl-1-benzothiophene-2-sulfonamide has a molecular weight of 324.47 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-7-methyl-N-pyrrolidin-3-yl-1-benzothiophene-2-sulfonamide is sourced from PubChem (CID 167753269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).