N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-4-pyrazol-1-ylbenzenesulfonamide

C20H19N3O3S2 — CID 99980530

IUPACN-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-4-pyrazol-1-ylbenzenesulfonamide
SMILESC[C@](O)(CNS(=O)(=O)c1ccc(-n2cccn2)cc1)c1cc2ccccc2s1
InChIInChI=1S/C20H19N3O3S2/c1-20(24,19-13-15-5-2-3-6-18(15)27-19)14-22-28(25,26)17-9-7-16(8-10-17)23-12-4-11-21-23/h2-13,22,24H,14H2,1H3/t20-/m0/s1
InChIKeyJFVQBNUMZNLUBO-FQEVSTJZSA-N
MW413.52 g/mol
LogP3.27
Rot. Bonds6

About N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-4-pyrazol-1-ylbenzenesulfonamide

N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-4-pyrazol-1-ylbenzenesulfonamide (PubChem CID 99980530) has the molecular formula C20H19N3O3S2 and a molecular weight of 413.52 g/mol. Its IUPAC name is N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-4-pyrazol-1-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-4-pyrazol-1-ylbenzenesulfonamide
PubChem CID99980530
Molecular FormulaC20H19N3O3S2
Molecular Weight413.52 g/mol
Exact Mass413.09
IUPAC NameN-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-4-pyrazol-1-ylbenzenesulfonamide
SMILESC[C@](O)(CNS(=O)(=O)c1ccc(-n2cccn2)cc1)c1cc2ccccc2s1
InChIInChI=1S/C20H19N3O3S2/c1-20(24,19-13-15-5-2-3-6-18(15)27-19)14-22-28(25,26)17-9-7-16(8-10-17)23-12-4-11-21-23/h2-13,22,24H,14H2,1H3/t20-/m0/s1
InChIKeyJFVQBNUMZNLUBO-FQEVSTJZSA-N
XLogP3.27
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-4-pyrazol-1-ylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-(benzo[b]thiophen-2-yl)-2-hydroxypropyl)-1-methyl-1H-pyrazole-4-sulfonamide
CID 86264026
N-(2-(benzo[b]thiophen-2-yl)-2-hydroxypropyl)-1-isopropyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 86264027
N-(2-(benzo[b]thiophen-3-yl)-2-hydroxyethyl)-1-methyl-1H-pyrazole-4-sulfonamide
CID 91630907
(S)-2-(1-benzothiophen-2-yl)-1-(3-pyridylsulfonylamino)-2-propanol
CID 99980319
(R)-1-(1-benzothiophen-3-yl)-2-[p-(1-pyrazolyl)phenylsulfonylamino]-1-ethanol
CID 100726440
N-[(2S)-2-hydroxy-3-methoxy-2-phenylpropyl]-4-pyrazol-1-ylbenzenesulfonamide
CID 129524292
2-[1-(3-Fluoro-4-pyridinyl)-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol
CID 59632307
2-(1-benzothiophen-3-yl)-1-[(5R)-1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]propan-2-ol
CID 66919568
2-(1-benzothiophen-3-yl)-1-[(5S)-1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]propan-2-ol
CID 66919582
2-(1-benzothiophen-3-yl)-1-[1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]propan-2-ol
CID 66919584
N-[(2R)-2-hydroxy-3-methoxy-2-phenylpropyl]-4-pyrazol-1-ylbenzenesulfonamide
CID 129524295
N-[(2R)-2-(1-benzothiophen-3-yl)-2-(dimethylamino)ethyl]-4-pyrazol-1-ylbenzenesulfonamide
CID 129531889

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-4-pyrazol-1-ylbenzenesulfonamide?
The IUPAC name of N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-4-pyrazol-1-ylbenzenesulfonamide (CID 99980530) is N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-4-pyrazol-1-ylbenzenesulfonamide.
What is the SMILES notation for N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-4-pyrazol-1-ylbenzenesulfonamide?
The canonical SMILES for N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-4-pyrazol-1-ylbenzenesulfonamide is C[C@](O)(CNS(=O)(=O)c1ccc(-n2cccn2)cc1)c1cc2ccccc2s1.
What is the InChIKey of N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-4-pyrazol-1-ylbenzenesulfonamide?
The InChIKey is JFVQBNUMZNLUBO-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H19N3O3S2/c1-20(24,19-13-15-5-2-3-6-18(15)27-19)14-22-28(25,26)17-9-7-16(8-10-17)23-12-4-11-21-23/h2-13,22,24H,14H2,1H3/t20-/m0/s1.
What are the key properties of N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-4-pyrazol-1-ylbenzenesulfonamide?
N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-4-pyrazol-1-ylbenzenesulfonamide has a molecular weight of 413.52 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-4-pyrazol-1-ylbenzenesulfonamide is sourced from PubChem (CID 99980530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).