N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-4-pyrazol-1-ylbenzenesulfonamide

C19H17N3O3S3 — CID 121170267

IUPACN-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-4-pyrazol-1-ylbenzenesulfonamide
SMILESO=S(=O)(NCC(O)(c1ccsc1)c1cccs1)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C19H17N3O3S3/c23-19(15-8-12-26-13-15,18-3-1-11-27-18)14-21-28(24,25)17-6-4-16(5-7-17)22-10-2-9-20-22/h1-13,21,23H,14H2
InChIKeyZTJCSIMLGUJAFW-UHFFFAOYSA-N
MW431.56 g/mol
LogP3.21
Rot. Bonds7

About N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-4-pyrazol-1-ylbenzenesulfonamide

N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-4-pyrazol-1-ylbenzenesulfonamide (PubChem CID 121170267) has the molecular formula C19H17N3O3S3 and a molecular weight of 431.56 g/mol. Its IUPAC name is N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-4-pyrazol-1-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-4-pyrazol-1-ylbenzenesulfonamide
PubChem CID121170267
Molecular FormulaC19H17N3O3S3
Molecular Weight431.56 g/mol
Exact Mass431.04
IUPAC NameN-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-4-pyrazol-1-ylbenzenesulfonamide
SMILESO=S(=O)(NCC(O)(c1ccsc1)c1cccs1)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C19H17N3O3S3/c23-19(15-8-12-26-13-15,18-3-1-11-27-18)14-21-28(24,25)17-6-4-16(5-7-17)22-10-2-9-20-22/h1-13,21,23H,14H2
InChIKeyZTJCSIMLGUJAFW-UHFFFAOYSA-N
XLogP3.21
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.56
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-4-pyrazol-1-ylbenzenesulfonamide
CID 124891780
N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-4-(trifluoromethyl)benzenesulfonamide
CID 121170241
4-acetyl-N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)benzenesulfonamide
CID 121170202
4-cyano-N-[(2S)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]benzenesulfonamide
CID 129417818
N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-4-propan-2-ylbenzenesulfonamide
CID 121170206
N-[(2S)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 124760233
N-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 124760232
N-[(2S)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]-3-methoxybenzenesulfonamide
CID 124878125
N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-4-methoxy-3,5-dimethylbenzenesulfonamide
CID 121170234
N-[(2S)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide
CID 124878466
N-[(2R)-2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-4-pyrazol-1-ylbenzenesulfonamide
CID 100691082
N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-2-nitrobenzenesulfonamide
CID 121170212

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-4-pyrazol-1-ylbenzenesulfonamide?
The IUPAC name of N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-4-pyrazol-1-ylbenzenesulfonamide (CID 121170267) is N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-4-pyrazol-1-ylbenzenesulfonamide.
What is the SMILES notation for N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-4-pyrazol-1-ylbenzenesulfonamide?
The canonical SMILES for N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-4-pyrazol-1-ylbenzenesulfonamide is O=S(=O)(NCC(O)(c1ccsc1)c1cccs1)c1ccc(-n2cccn2)cc1.
What is the InChIKey of N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-4-pyrazol-1-ylbenzenesulfonamide?
The InChIKey is ZTJCSIMLGUJAFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3S3/c23-19(15-8-12-26-13-15,18-3-1-11-27-18)14-21-28(24,25)17-6-4-16(5-7-17)22-10-2-9-20-22/h1-13,21,23H,14H2.
What are the key properties of N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-4-pyrazol-1-ylbenzenesulfonamide?
N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-4-pyrazol-1-ylbenzenesulfonamide has a molecular weight of 431.56 g/mol, XLogP of 3.21, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-4-pyrazol-1-ylbenzenesulfonamide is sourced from PubChem (CID 121170267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).