N-(5-hydroxy-3-thiophen-2-ylpentyl)-4-pyrazol-1-ylbenzenesulfonamide

C18H21N3O3S2 — CID 126854033

IUPACN-(5-hydroxy-3-thiophen-2-ylpentyl)-4-pyrazol-1-ylbenzenesulfonamide
SMILESO=S(=O)(NCCC(CCO)c1cccs1)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C18H21N3O3S2/c22-13-9-15(18-3-1-14-25-18)8-11-20-26(23,24)17-6-4-16(5-7-17)21-12-2-10-19-21/h1-7,10,12,14-15,20,22H,8-9,11,13H2
InChIKeyDBKYJTFXHFBTHA-UHFFFAOYSA-N
MW391.52 g/mol
LogP2.77
Rot. Bonds9

About N-(5-hydroxy-3-thiophen-2-ylpentyl)-4-pyrazol-1-ylbenzenesulfonamide

N-(5-hydroxy-3-thiophen-2-ylpentyl)-4-pyrazol-1-ylbenzenesulfonamide (PubChem CID 126854033) has the molecular formula C18H21N3O3S2 and a molecular weight of 391.52 g/mol. Its IUPAC name is N-(5-hydroxy-3-thiophen-2-ylpentyl)-4-pyrazol-1-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-(5-hydroxy-3-thiophen-2-ylpentyl)-4-pyrazol-1-ylbenzenesulfonamide
PubChem CID126854033
Molecular FormulaC18H21N3O3S2
Molecular Weight391.52 g/mol
Exact Mass391.10
IUPAC NameN-(5-hydroxy-3-thiophen-2-ylpentyl)-4-pyrazol-1-ylbenzenesulfonamide
SMILESO=S(=O)(NCCC(CCO)c1cccs1)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C18H21N3O3S2/c22-13-9-15(18-3-1-14-25-18)8-11-20-26(23,24)17-6-4-16(5-7-17)21-12-2-10-19-21/h1-7,10,12,14-15,20,22H,8-9,11,13H2
InChIKeyDBKYJTFXHFBTHA-UHFFFAOYSA-N
XLogP2.77
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-hydroxy-3-(oxan-4-yl)propyl]-4-pyrazol-1-ylbenzenesulfonamide
CID 86266682
N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-4-pyrazol-1-ylbenzenesulfonamide
CID 121170267
2-[[4-(4-pyrazol-1-ylphenyl)phenyl]sulfonylamino]acetic acid
CID 167835860
N-[(4-pyrazol-1-ylphenyl)methyl]thiophene-2-sulfonamide
CID 22205170
N-[(2R)-2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-4-pyrazol-1-ylbenzenesulfonamide
CID 100691082
N-[(4-pyrazol-1-ylphenyl)methyl]-2-(thiophen-2-ylsulfonylamino)acetamide
CID 51122550
4-(2,5-dioxopyrrolidin-1-yl)-N-(5-hydroxy-3-thiophen-3-ylpentyl)benzenesulfonamide
CID 126854037
N-(3-hydroxy-3-thiophen-2-ylpropyl)-4-propan-2-ylbenzenesulfonamide
CID 90524166
N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]-4-pyrazol-1-ylbenzenesulfonamide
CID 122290051
N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-4-pyrazol-1-ylbenzenesulfonamide
CID 91631063
1-[(1R)-3-hydroxy-1-thiophen-2-ylpropyl]-3-(3-pyrazol-1-ylphenyl)urea
CID 95775582
N-[(2S)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-4-pyrazol-1-ylbenzenesulfonamide
CID 100729967

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxy-3-thiophen-2-ylpentyl)-4-pyrazol-1-ylbenzenesulfonamide?
The IUPAC name of N-(5-hydroxy-3-thiophen-2-ylpentyl)-4-pyrazol-1-ylbenzenesulfonamide (CID 126854033) is N-(5-hydroxy-3-thiophen-2-ylpentyl)-4-pyrazol-1-ylbenzenesulfonamide.
What is the SMILES notation for N-(5-hydroxy-3-thiophen-2-ylpentyl)-4-pyrazol-1-ylbenzenesulfonamide?
The canonical SMILES for N-(5-hydroxy-3-thiophen-2-ylpentyl)-4-pyrazol-1-ylbenzenesulfonamide is O=S(=O)(NCCC(CCO)c1cccs1)c1ccc(-n2cccn2)cc1.
What is the InChIKey of N-(5-hydroxy-3-thiophen-2-ylpentyl)-4-pyrazol-1-ylbenzenesulfonamide?
The InChIKey is DBKYJTFXHFBTHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3S2/c22-13-9-15(18-3-1-14-25-18)8-11-20-26(23,24)17-6-4-16(5-7-17)21-12-2-10-19-21/h1-7,10,12,14-15,20,22H,8-9,11,13H2.
What are the key properties of N-(5-hydroxy-3-thiophen-2-ylpentyl)-4-pyrazol-1-ylbenzenesulfonamide?
N-(5-hydroxy-3-thiophen-2-ylpentyl)-4-pyrazol-1-ylbenzenesulfonamide has a molecular weight of 391.52 g/mol, XLogP of 2.77, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxy-3-thiophen-2-ylpentyl)-4-pyrazol-1-ylbenzenesulfonamide is sourced from PubChem (CID 126854033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).