N-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]pyridine-3-sulfonamide

C15H14N2O3S2 — CID 100725682

IUPACN-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]pyridine-3-sulfonamide
SMILESO=S(=O)(NC[C@H](O)c1csc2ccccc12)c1cccnc1
InChIInChI=1S/C15H14N2O3S2/c18-14(13-10-21-15-6-2-1-5-12(13)15)9-17-22(19,20)11-4-3-7-16-8-11/h1-8,10,14,17-18H,9H2/t14-/m0/s1
InChIKeyYDAOYWKBVUAEIB-AWEZNQCLSA-N
MW334.42 g/mol
LogP2.31
Rot. Bonds5

About N-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]pyridine-3-sulfonamide

N-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]pyridine-3-sulfonamide (PubChem CID 100725682) has the molecular formula C15H14N2O3S2 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]pyridine-3-sulfonamide
PubChem CID100725682
Molecular FormulaC15H14N2O3S2
Molecular Weight334.42 g/mol
Exact Mass334.04
IUPAC NameN-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]pyridine-3-sulfonamide
SMILESO=S(=O)(NC[C@H](O)c1csc2ccccc12)c1cccnc1
InChIInChI=1S/C15H14N2O3S2/c18-14(13-10-21-15-6-2-1-5-12(13)15)9-17-22(19,20)11-4-3-7-16-8-11/h1-8,10,14,17-18H,9H2/t14-/m0/s1
InChIKeyYDAOYWKBVUAEIB-AWEZNQCLSA-N
XLogP2.31
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-hydroxy-2-phenylethyl)-5-(2-pyridinyl)-2-thiophenesulfonamide
CID 2812777
N-[3-[(1R)-1-hydroxy-2-[2-(1H-indol-3-yl)ethylamino]ethyl]phenyl]thiophene-2-sulfonamide
CID 44396678
N-[(2-fluoro-4-pyridinyl)methyl]-N-[3-(1-hydroxyethyl)-1-benzothiophen-2-yl]ethanesulfonamide
CID 66907258
N-[(2-fluoro-4-pyridinyl)methyl]-N-[3-(2-hydroxypropan-2-yl)-1-benzothiophen-2-yl]ethanesulfonamide
CID 66907550
N-[2-hydroxy-2-(thiophen-2-yl)propyl]pyridine-3-sulfonamide
CID 71782466
N-(2-hydroxy-2-(1-methyl-1H-indol-3-yl)ethyl)thiophene-2-sulfonamide
CID 71788683
(R)-1-[p-(methylthio)phenyl]-2-(3-pyridylsulfonylamino)-1-ethanol
CID 97416934
(S)-2-(1-benzothiophen-2-yl)-1-(3-pyridylsulfonylamino)-2-propanol
CID 99980319
(S)-3-(3-pyridylsulfonylamino)-1-(3-thienyl)-1-propanol
CID 99981312
(R)-1-(1-benzothiophen-3-yl)-2-[p-(1-pyrazolyl)phenylsulfonylamino]-1-ethanol
CID 100726440
3-[(R)-1-hydroxy-2-(N-3-pyridylcarbamoylcarbonylamino)ethyl]-1-benzothiophene
CID 100726595
[4-(1-Benzothien-7-yl)-2-pyridinyl]methanol
CID 28465214

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]pyridine-3-sulfonamide?
The IUPAC name of N-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]pyridine-3-sulfonamide (CID 100725682) is N-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]pyridine-3-sulfonamide.
What is the SMILES notation for N-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]pyridine-3-sulfonamide?
The canonical SMILES for N-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]pyridine-3-sulfonamide is O=S(=O)(NC[C@H](O)c1csc2ccccc12)c1cccnc1.
What is the InChIKey of N-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]pyridine-3-sulfonamide?
The InChIKey is YDAOYWKBVUAEIB-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H14N2O3S2/c18-14(13-10-21-15-6-2-1-5-12(13)15)9-17-22(19,20)11-4-3-7-16-8-11/h1-8,10,14,17-18H,9H2/t14-/m0/s1.
What are the key properties of N-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]pyridine-3-sulfonamide?
N-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]pyridine-3-sulfonamide has a molecular weight of 334.42 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]pyridine-3-sulfonamide is sourced from PubChem (CID 100725682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).