N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]pyridine-3-sulfonamide

C16H16N2O3S2 — CID 99980319

IUPACN-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]pyridine-3-sulfonamide
SMILESC[C@](O)(CNS(=O)(=O)c1cccnc1)c1cc2ccccc2s1
InChIInChI=1S/C16H16N2O3S2/c1-16(19,15-9-12-5-2-3-7-14(12)22-15)11-18-23(20,21)13-6-4-8-17-10-13/h2-10,18-19H,11H2,1H3/t16-/m0/s1
InChIKeySIKOQCPWCAJGSW-INIZCTEOSA-N
MW348.45 g/mol
LogP2.48
Rot. Bonds5

About N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]pyridine-3-sulfonamide

N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]pyridine-3-sulfonamide (PubChem CID 99980319) has the molecular formula C16H16N2O3S2 and a molecular weight of 348.45 g/mol. Its IUPAC name is N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]pyridine-3-sulfonamide
PubChem CID99980319
Molecular FormulaC16H16N2O3S2
Molecular Weight348.45 g/mol
Exact Mass348.06
IUPAC NameN-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]pyridine-3-sulfonamide
SMILESC[C@](O)(CNS(=O)(=O)c1cccnc1)c1cc2ccccc2s1
InChIInChI=1S/C16H16N2O3S2/c1-16(19,15-9-12-5-2-3-7-14(12)22-15)11-18-23(20,21)13-6-4-8-17-10-13/h2-10,18-19H,11H2,1H3/t16-/m0/s1
InChIKeySIKOQCPWCAJGSW-INIZCTEOSA-N
XLogP2.48
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]pyridine-3-sulfonamide?
The IUPAC name of N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]pyridine-3-sulfonamide (CID 99980319) is N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]pyridine-3-sulfonamide.
What is the SMILES notation for N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]pyridine-3-sulfonamide?
The canonical SMILES for N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]pyridine-3-sulfonamide is C[C@](O)(CNS(=O)(=O)c1cccnc1)c1cc2ccccc2s1.
What is the InChIKey of N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]pyridine-3-sulfonamide?
The InChIKey is SIKOQCPWCAJGSW-INIZCTEOSA-N. The full InChI is InChI=1S/C16H16N2O3S2/c1-16(19,15-9-12-5-2-3-7-14(12)22-15)11-18-23(20,21)13-6-4-8-17-10-13/h2-10,18-19H,11H2,1H3/t16-/m0/s1.
What are the key properties of N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]pyridine-3-sulfonamide?
N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]pyridine-3-sulfonamide has a molecular weight of 348.45 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]pyridine-3-sulfonamide is sourced from PubChem (CID 99980319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).