N-[(2R)-2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-4-pyrazol-1-ylbenzenesulfonamide

C18H20N4O2S2 — CID 100691082

IUPACN-[(2R)-2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-4-pyrazol-1-ylbenzenesulfonamide
SMILESO=S(=O)(NC[C@@H](c1ccsc1)N1CCC1)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C18H20N4O2S2/c23-26(24,17-5-3-16(4-6-17)22-11-1-8-19-22)20-13-18(21-9-2-10-21)15-7-12-25-14-15/h1,3-8,11-12,14,18,20H,2,9-10,13H2/t18-/m0/s1
InChIKeyLJTQNJUWIJUISZ-SFHVURJKSA-N
MW388.52 g/mol
LogP2.66
Rot. Bonds7

About N-[(2R)-2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-4-pyrazol-1-ylbenzenesulfonamide

N-[(2R)-2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-4-pyrazol-1-ylbenzenesulfonamide (PubChem CID 100691082) has the molecular formula C18H20N4O2S2 and a molecular weight of 388.52 g/mol. Its IUPAC name is N-[(2R)-2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-4-pyrazol-1-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2R)-2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-4-pyrazol-1-ylbenzenesulfonamide
PubChem CID100691082
Molecular FormulaC18H20N4O2S2
Molecular Weight388.52 g/mol
Exact Mass388.10
IUPAC NameN-[(2R)-2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-4-pyrazol-1-ylbenzenesulfonamide
SMILESO=S(=O)(NC[C@@H](c1ccsc1)N1CCC1)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C18H20N4O2S2/c23-26(24,17-5-3-16(4-6-17)22-11-1-8-19-22)20-13-18(21-9-2-10-21)15-7-12-25-14-15/h1,3-8,11-12,14,18,20H,2,9-10,13H2/t18-/m0/s1
InChIKeyLJTQNJUWIJUISZ-SFHVURJKSA-N
XLogP2.66
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2S)-2-(azepan-1-yl)-2-thiophen-3-ylethyl]-4-fluorobenzenesulfonamide
CID 40863945
4-chloro-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)benzenesulfonamide
CID 16933039
4-bromo-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)benzenesulfonamide
CID 16932837
N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-4-methylbenzenesulfonamide
CID 16933238
4-methyl-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)benzenesulfonamide
CID 16932838
4-propan-2-yl-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]benzenesulfonamide
CID 40863323
N-[(2S)-2-(azepan-1-yl)-2-thiophen-3-ylethyl]naphthalene-2-sulfonamide
CID 40863993
N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-4-pyrazol-1-ylbenzenesulfonamide
CID 121170267
N-[4-[(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)sulfamoyl]phenyl]butanamide
CID 16933077
N-[4-[[2-(azepan-1-yl)-2-thiophen-3-ylethyl]sulfamoyl]phenyl]-2-methylpropanamide
CID 16933276
N-[4-[[2-(azepan-1-yl)-2-thiophen-3-ylethyl]sulfamoyl]phenyl]butanamide
CID 16933277
4-bromo-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzenesulfonamide
CID 16933137

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-4-pyrazol-1-ylbenzenesulfonamide?
The IUPAC name of N-[(2R)-2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-4-pyrazol-1-ylbenzenesulfonamide (CID 100691082) is N-[(2R)-2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-4-pyrazol-1-ylbenzenesulfonamide.
What is the SMILES notation for N-[(2R)-2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-4-pyrazol-1-ylbenzenesulfonamide?
The canonical SMILES for N-[(2R)-2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-4-pyrazol-1-ylbenzenesulfonamide is O=S(=O)(NC[C@@H](c1ccsc1)N1CCC1)c1ccc(-n2cccn2)cc1.
What is the InChIKey of N-[(2R)-2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-4-pyrazol-1-ylbenzenesulfonamide?
The InChIKey is LJTQNJUWIJUISZ-SFHVURJKSA-N. The full InChI is InChI=1S/C18H20N4O2S2/c23-26(24,17-5-3-16(4-6-17)22-11-1-8-19-22)20-13-18(21-9-2-10-21)15-7-12-25-14-15/h1,3-8,11-12,14,18,20H,2,9-10,13H2/t18-/m0/s1.
What are the key properties of N-[(2R)-2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-4-pyrazol-1-ylbenzenesulfonamide?
N-[(2R)-2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-4-pyrazol-1-ylbenzenesulfonamide has a molecular weight of 388.52 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-4-pyrazol-1-ylbenzenesulfonamide is sourced from PubChem (CID 100691082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).