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

C19H23N3O3S2 — CID 42351426

IUPAC1-benzyl-N-(2-hydroxyethyl)-N-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide
SMILESCC(C)N(CCO)S(=O)(=O)c1cn(Cc2ccccc2)nc1-c1cccs1
InChIInChI=1S/C19H23N3O3S2/c1-15(2)22(10-11-23)27(24,25)18-14-21(13-16-7-4-3-5-8-16)20-19(18)17-9-6-12-26-17/h3-9,12,14-15,23H,10-11,13H2,1-2H3
InChIKeyGYCXPEBFGJZTPU-UHFFFAOYSA-N
MW405.55 g/mol
LogP3.05
Rot. Bonds8

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

1-benzyl-N-(2-hydroxyethyl)-N-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide (PubChem CID 42351426) has the molecular formula C19H23N3O3S2 and a molecular weight of 405.55 g/mol. Its IUPAC name is 1-benzyl-N-(2-hydroxyethyl)-N-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-benzyl-N-(2-hydroxyethyl)-N-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide
PubChem CID42351426
Molecular FormulaC19H23N3O3S2
Molecular Weight405.55 g/mol
Exact Mass405.12
IUPAC Name1-benzyl-N-(2-hydroxyethyl)-N-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide
SMILESCC(C)N(CCO)S(=O)(=O)c1cn(Cc2ccccc2)nc1-c1cccs1
InChIInChI=1S/C19H23N3O3S2/c1-15(2)22(10-11-23)27(24,25)18-14-21(13-16-7-4-3-5-8-16)20-19(18)17-9-6-12-26-17/h3-9,12,14-15,23H,10-11,13H2,1-2H3
InChIKeyGYCXPEBFGJZTPU-UHFFFAOYSA-N
XLogP3.05
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.55
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-hydroxyethyl)-N,1-di(propan-2-yl)-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42350211
N,1-dibenzyl-N-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42351271
2-[4-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)sulfonylpiperazin-1-yl]ethanol
CID 29384847
N-ethyl-N-(2-hydroxyethyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42351821
1-benzyl-N-cyclopropyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42351775
ethyl 4-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)sulfonylpiperazine-1-carboxylate
CID 42351367
1-benzyl-N-propan-2-yl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 42282124
1-benzyl-N-(2,4-dimethylphenyl)-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42285422
1-benzyl-N-[3-[methyl(methylsulfonyl)amino]propyl]-3-thiophen-2-ylpyrazole-4-carboxamide
CID 46434281
1-benzyl-N-(4-bromo-2-methylphenyl)-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42285432
N-benzyl-1-methyl-N-phenyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42349835
N-(2-hydroxyethyl)-3-methyl-1-phenyl-N-propan-2-ylpyrazole-4-sulfonamide
CID 42283213

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(2-hydroxyethyl)-N-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide?
The IUPAC name of 1-benzyl-N-(2-hydroxyethyl)-N-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide (CID 42351426) is 1-benzyl-N-(2-hydroxyethyl)-N-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide.
What is the SMILES notation for 1-benzyl-N-(2-hydroxyethyl)-N-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide?
The canonical SMILES for 1-benzyl-N-(2-hydroxyethyl)-N-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide is CC(C)N(CCO)S(=O)(=O)c1cn(Cc2ccccc2)nc1-c1cccs1.
What is the InChIKey of 1-benzyl-N-(2-hydroxyethyl)-N-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide?
The InChIKey is GYCXPEBFGJZTPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S2/c1-15(2)22(10-11-23)27(24,25)18-14-21(13-16-7-4-3-5-8-16)20-19(18)17-9-6-12-26-17/h3-9,12,14-15,23H,10-11,13H2,1-2H3.
What are the key properties of 1-benzyl-N-(2-hydroxyethyl)-N-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide?
1-benzyl-N-(2-hydroxyethyl)-N-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide has a molecular weight of 405.55 g/mol, XLogP of 3.05, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(2-hydroxyethyl)-N-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide is sourced from PubChem (CID 42351426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).