N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-4-propan-2-ylbenzenesulfonamide

C18H27N3O2S — CID 22578603

IUPACN-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-4-propan-2-ylbenzenesulfonamide
SMILESCCn1nc(C)c(CCNS(=O)(=O)c2ccc(C(C)C)cc2)c1C
InChIInChI=1S/C18H27N3O2S/c1-6-21-15(5)18(14(4)20-21)11-12-19-24(22,23)17-9-7-16(8-10-17)13(2)3/h7-10,13,19H,6,11-12H2,1-5H3
InChIKeyWDNHFYMABKFTIG-UHFFFAOYSA-N
MW349.50 g/mol
LogP3.16
Rot. Bonds7

About N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-4-propan-2-ylbenzenesulfonamide

N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-4-propan-2-ylbenzenesulfonamide (PubChem CID 22578603) has the molecular formula C18H27N3O2S and a molecular weight of 349.50 g/mol. Its IUPAC name is N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-4-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-4-propan-2-ylbenzenesulfonamide
PubChem CID22578603
Molecular FormulaC18H27N3O2S
Molecular Weight349.50 g/mol
Exact Mass349.18
IUPAC NameN-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-4-propan-2-ylbenzenesulfonamide
SMILESCCn1nc(C)c(CCNS(=O)(=O)c2ccc(C(C)C)cc2)c1C
InChIInChI=1S/C18H27N3O2S/c1-6-21-15(5)18(14(4)20-21)11-12-19-24(22,23)17-9-7-16(8-10-17)13(2)3/h7-10,13,19H,6,11-12H2,1-5H3
InChIKeyWDNHFYMABKFTIG-UHFFFAOYSA-N
XLogP3.16
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.50
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2,4-dimethylbenzenesulfonamide
CID 22578602
5-chloro-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-methoxybenzenesulfonamide
CID 22578604
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-methoxybenzenesulfonamide
CID 22771326
N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]propan-2-amine
CID 63106195
N-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]-4-propan-2-ylbenzenesulfonamide
CID 22207416
N-[2-(ethylamino)ethyl]-4-propan-2-ylbenzenesulfonamide;hydrochloride
CID 119973798
4-propan-2-yl-N-(3-pyrrol-1-ylpropyl)benzenesulfonamide
CID 71079087
4-propan-2-yl-N-[2-(3H-pyrrol-5-yl)ethyl]benzenesulfonamide
CID 161388261
N-(1-ethyl-3-methylpyrazol-4-yl)-4-propan-2-ylbenzenesulfonamide
CID 22209225
N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-4-propan-2-ylbenzenesulfonamide
CID 22203047
N-(3-hydroxybutyl)-4-propan-2-ylbenzenesulfonamide
CID 64913123
(2R)-2-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]propane-1,2-diamine
CID 104868295

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-4-propan-2-ylbenzenesulfonamide?
The IUPAC name of N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-4-propan-2-ylbenzenesulfonamide (CID 22578603) is N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-4-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-4-propan-2-ylbenzenesulfonamide?
The canonical SMILES for N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-4-propan-2-ylbenzenesulfonamide is CCn1nc(C)c(CCNS(=O)(=O)c2ccc(C(C)C)cc2)c1C.
What is the InChIKey of N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-4-propan-2-ylbenzenesulfonamide?
The InChIKey is WDNHFYMABKFTIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2S/c1-6-21-15(5)18(14(4)20-21)11-12-19-24(22,23)17-9-7-16(8-10-17)13(2)3/h7-10,13,19H,6,11-12H2,1-5H3.
What are the key properties of N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-4-propan-2-ylbenzenesulfonamide?
N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-4-propan-2-ylbenzenesulfonamide has a molecular weight of 349.50 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-4-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 22578603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).