N-cyclohexyl-N-(2-hydroxyethyl)-1,3-diphenylpyrazole-4-sulfonamide

C23H27N3O3S — CID 42349121

IUPACN-cyclohexyl-N-(2-hydroxyethyl)-1,3-diphenylpyrazole-4-sulfonamide
SMILESO=S(=O)(c1cn(-c2ccccc2)nc1-c1ccccc1)N(CCO)C1CCCCC1
InChIInChI=1S/C23H27N3O3S/c27-17-16-26(21-14-8-3-9-15-21)30(28,29)22-18-25(20-12-6-2-7-13-20)24-23(22)19-10-4-1-5-11-19/h1-2,4-7,10-13,18,21,27H,3,8-9,14-17H2
InChIKeyGQHFHRHVWSNKTI-UHFFFAOYSA-N
MW425.55 g/mol
LogP3.86
Rot. Bonds7

About N-cyclohexyl-N-(2-hydroxyethyl)-1,3-diphenylpyrazole-4-sulfonamide

N-cyclohexyl-N-(2-hydroxyethyl)-1,3-diphenylpyrazole-4-sulfonamide (PubChem CID 42349121) has the molecular formula C23H27N3O3S and a molecular weight of 425.55 g/mol. Its IUPAC name is N-cyclohexyl-N-(2-hydroxyethyl)-1,3-diphenylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-N-(2-hydroxyethyl)-1,3-diphenylpyrazole-4-sulfonamide
PubChem CID42349121
Molecular FormulaC23H27N3O3S
Molecular Weight425.55 g/mol
Exact Mass425.18
IUPAC NameN-cyclohexyl-N-(2-hydroxyethyl)-1,3-diphenylpyrazole-4-sulfonamide
SMILESO=S(=O)(c1cn(-c2ccccc2)nc1-c1ccccc1)N(CCO)C1CCCCC1
InChIInChI=1S/C23H27N3O3S/c27-17-16-26(21-14-8-3-9-15-21)30(28,29)22-18-25(20-12-6-2-7-13-20)24-23(22)19-10-4-1-5-11-19/h1-2,4-7,10-13,18,21,27H,3,8-9,14-17H2
InChIKeyGQHFHRHVWSNKTI-UHFFFAOYSA-N
XLogP3.86
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.55
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-N-methyl-1,3-diphenylpyrazole-4-sulfonamide
CID 42348958
1,3-diphenyl-4-pyrrolidin-1-ylsulfonylpyrazole
CID 42348986
N-[2-(2-hydroxyethoxy)ethyl]-1,3-diphenylpyrazole-4-sulfonamide
CID 42349187
2-[cyclobutyl(2-hydroxyethyl)sulfamoyl]benzenecarbothioamide
CID 102862565
1-(1,3-diphenylpyrazol-4-yl)sulfonyl-4-methylpiperidine
CID 42349000
3-[cyclopentyl(2-hydroxyethyl)sulfamoyl]pyridine-2-carbothioamide
CID 106596988
N-ethyl-N-(2-hydroxyethyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42351821
N-cyclopropyl-2-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 43577535
2-chloro-N-cyclopropyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 43577489
N-[2-(aminomethyl)cyclopentyl]-1,3-diphenylpyrazole-4-carboxamide;hydrochloride
CID 119601120
1-cyclopentyl-3-phenyl-N,N-dipropylpyrazole-4-sulfonamide
CID 42346854
N-(2-hydroxyethyl)-3-methyl-1-phenyl-N-propan-2-ylpyrazole-4-sulfonamide
CID 42283213

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-(2-hydroxyethyl)-1,3-diphenylpyrazole-4-sulfonamide?
The IUPAC name of N-cyclohexyl-N-(2-hydroxyethyl)-1,3-diphenylpyrazole-4-sulfonamide (CID 42349121) is N-cyclohexyl-N-(2-hydroxyethyl)-1,3-diphenylpyrazole-4-sulfonamide.
What is the SMILES notation for N-cyclohexyl-N-(2-hydroxyethyl)-1,3-diphenylpyrazole-4-sulfonamide?
The canonical SMILES for N-cyclohexyl-N-(2-hydroxyethyl)-1,3-diphenylpyrazole-4-sulfonamide is O=S(=O)(c1cn(-c2ccccc2)nc1-c1ccccc1)N(CCO)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-(2-hydroxyethyl)-1,3-diphenylpyrazole-4-sulfonamide?
The InChIKey is GQHFHRHVWSNKTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3S/c27-17-16-26(21-14-8-3-9-15-21)30(28,29)22-18-25(20-12-6-2-7-13-20)24-23(22)19-10-4-1-5-11-19/h1-2,4-7,10-13,18,21,27H,3,8-9,14-17H2.
What are the key properties of N-cyclohexyl-N-(2-hydroxyethyl)-1,3-diphenylpyrazole-4-sulfonamide?
N-cyclohexyl-N-(2-hydroxyethyl)-1,3-diphenylpyrazole-4-sulfonamide has a molecular weight of 425.55 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-(2-hydroxyethyl)-1,3-diphenylpyrazole-4-sulfonamide is sourced from PubChem (CID 42349121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).