N-(2-hydroxyethyl)-N,1-di(propan-2-yl)-3-thiophen-2-ylpyrazole-4-sulfonamide

C15H23N3O3S2 — CID 42350211

IUPACN-(2-hydroxyethyl)-N,1-di(propan-2-yl)-3-thiophen-2-ylpyrazole-4-sulfonamide
SMILESCC(C)N(CCO)S(=O)(=O)c1cn(C(C)C)nc1-c1cccs1
InChIInChI=1S/C15H23N3O3S2/c1-11(2)17-10-14(15(16-17)13-6-5-9-22-13)23(20,21)18(7-8-19)12(3)4/h5-6,9-12,19H,7-8H2,1-4H3
InChIKeyXLRUTSVFOVLLSH-UHFFFAOYSA-N
MW357.50 g/mol
LogP2.58
Rot. Bonds7

About N-(2-hydroxyethyl)-N,1-di(propan-2-yl)-3-thiophen-2-ylpyrazole-4-sulfonamide

N-(2-hydroxyethyl)-N,1-di(propan-2-yl)-3-thiophen-2-ylpyrazole-4-sulfonamide (PubChem CID 42350211) has the molecular formula C15H23N3O3S2 and a molecular weight of 357.50 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N,1-di(propan-2-yl)-3-thiophen-2-ylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N,1-di(propan-2-yl)-3-thiophen-2-ylpyrazole-4-sulfonamide
PubChem CID42350211
Molecular FormulaC15H23N3O3S2
Molecular Weight357.50 g/mol
Exact Mass357.12
IUPAC NameN-(2-hydroxyethyl)-N,1-di(propan-2-yl)-3-thiophen-2-ylpyrazole-4-sulfonamide
SMILESCC(C)N(CCO)S(=O)(=O)c1cn(C(C)C)nc1-c1cccs1
InChIInChI=1S/C15H23N3O3S2/c1-11(2)17-10-14(15(16-17)13-6-5-9-22-13)23(20,21)18(7-8-19)12(3)4/h5-6,9-12,19H,7-8H2,1-4H3
InChIKeyXLRUTSVFOVLLSH-UHFFFAOYSA-N
XLogP2.58
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-benzyl-N-(2-hydroxyethyl)-N-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42351426
N,N-dimethyl-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42350047
N-ethyl-N-(2-hydroxyethyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42351821
N-butyl-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42350218
N-(4-hydroxyphenyl)-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42285261
N-cyclopropyl-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42350557
N-(2,2-diethoxyethyl)-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42350258
N-(4-acetylphenyl)-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42285268
N-(furan-2-ylmethyl)-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42350344
N-(4-phenoxyphenyl)-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42285273
N-cyclohexyl-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42350287
N-(4-anilinophenyl)-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42285313

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N,1-di(propan-2-yl)-3-thiophen-2-ylpyrazole-4-sulfonamide?
The IUPAC name of N-(2-hydroxyethyl)-N,1-di(propan-2-yl)-3-thiophen-2-ylpyrazole-4-sulfonamide (CID 42350211) is N-(2-hydroxyethyl)-N,1-di(propan-2-yl)-3-thiophen-2-ylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N,1-di(propan-2-yl)-3-thiophen-2-ylpyrazole-4-sulfonamide?
The canonical SMILES for N-(2-hydroxyethyl)-N,1-di(propan-2-yl)-3-thiophen-2-ylpyrazole-4-sulfonamide is CC(C)N(CCO)S(=O)(=O)c1cn(C(C)C)nc1-c1cccs1.
What is the InChIKey of N-(2-hydroxyethyl)-N,1-di(propan-2-yl)-3-thiophen-2-ylpyrazole-4-sulfonamide?
The InChIKey is XLRUTSVFOVLLSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S2/c1-11(2)17-10-14(15(16-17)13-6-5-9-22-13)23(20,21)18(7-8-19)12(3)4/h5-6,9-12,19H,7-8H2,1-4H3.
What are the key properties of N-(2-hydroxyethyl)-N,1-di(propan-2-yl)-3-thiophen-2-ylpyrazole-4-sulfonamide?
N-(2-hydroxyethyl)-N,1-di(propan-2-yl)-3-thiophen-2-ylpyrazole-4-sulfonamide has a molecular weight of 357.50 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N,1-di(propan-2-yl)-3-thiophen-2-ylpyrazole-4-sulfonamide is sourced from PubChem (CID 42350211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).