N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]cyclopropanesulfonamide

C13H15NO3S2 — CID 91630875

IUPACN-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]cyclopropanesulfonamide
SMILESO=S(=O)(NCC(O)c1csc2ccccc12)C1CC1
InChIInChI=1S/C13H15NO3S2/c15-12(7-14-19(16,17)9-5-6-9)11-8-18-13-4-2-1-3-10(11)13/h1-4,8-9,12,14-15H,5-7H2
InChIKeyKLGCQFKBZZJPMT-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.02
Rot. Bonds5

About N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]cyclopropanesulfonamide

N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]cyclopropanesulfonamide (PubChem CID 91630875) has the molecular formula C13H15NO3S2 and a molecular weight of 297.40 g/mol. Its IUPAC name is N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]cyclopropanesulfonamide
PubChem CID91630875
Molecular FormulaC13H15NO3S2
Molecular Weight297.40 g/mol
Exact Mass297.05
IUPAC NameN-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]cyclopropanesulfonamide
SMILESO=S(=O)(NCC(O)c1csc2ccccc12)C1CC1
InChIInChI=1S/C13H15NO3S2/c15-12(7-14-19(16,17)9-5-6-9)11-8-18-13-4-2-1-3-10(11)13/h1-4,8-9,12,14-15H,5-7H2
InChIKeyKLGCQFKBZZJPMT-UHFFFAOYSA-N
XLogP2.02
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]cyclopropanesulfonamide?
The IUPAC name of N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]cyclopropanesulfonamide (CID 91630875) is N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]cyclopropanesulfonamide?
The canonical SMILES for N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]cyclopropanesulfonamide is O=S(=O)(NCC(O)c1csc2ccccc12)C1CC1.
What is the InChIKey of N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]cyclopropanesulfonamide?
The InChIKey is KLGCQFKBZZJPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3S2/c15-12(7-14-19(16,17)9-5-6-9)11-8-18-13-4-2-1-3-10(11)13/h1-4,8-9,12,14-15H,5-7H2.
What are the key properties of N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]cyclopropanesulfonamide?
N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]cyclopropanesulfonamide has a molecular weight of 297.40 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]cyclopropanesulfonamide is sourced from PubChem (CID 91630875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).