N-[2,6-di(propan-2-yl)phenyl]-1-ethylpyrazole-4-sulfonamide

C17H25N3O2S — CID 19684001

IUPACN-[2,6-di(propan-2-yl)phenyl]-1-ethylpyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)Nc2c(C(C)C)cccc2C(C)C)cn1
InChIInChI=1S/C17H25N3O2S/c1-6-20-11-14(10-18-20)23(21,22)19-17-15(12(2)3)8-7-9-16(17)13(4)5/h7-13,19H,6H2,1-5H3
InChIKeyRAEQSABHPBRXPQ-UHFFFAOYSA-N
MW335.47 g/mol
LogP3.95
Rot. Bonds6

About N-[2,6-di(propan-2-yl)phenyl]-1-ethylpyrazole-4-sulfonamide

N-[2,6-di(propan-2-yl)phenyl]-1-ethylpyrazole-4-sulfonamide (PubChem CID 19684001) has the molecular formula C17H25N3O2S and a molecular weight of 335.47 g/mol. Its IUPAC name is N-[2,6-di(propan-2-yl)phenyl]-1-ethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2,6-di(propan-2-yl)phenyl]-1-ethylpyrazole-4-sulfonamide
PubChem CID19684001
Molecular FormulaC17H25N3O2S
Molecular Weight335.47 g/mol
Exact Mass335.17
IUPAC NameN-[2,6-di(propan-2-yl)phenyl]-1-ethylpyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)Nc2c(C(C)C)cccc2C(C)C)cn1
InChIInChI=1S/C17H25N3O2S/c1-6-20-11-14(10-18-20)23(21,22)19-17-15(12(2)3)8-7-9-16(17)13(4)5/h7-13,19H,6H2,1-5H3
InChIKeyRAEQSABHPBRXPQ-UHFFFAOYSA-N
XLogP3.95
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrazole-4-sulfonamide
CID 84595481
1-ethyl-N-[4-(ethylsulfamoyl)phenyl]pyrazole-4-sulfonamide
CID 22203400
1-ethyl-N-thiophen-3-ylpyrazole-4-sulfonamide
CID 71998246
N-(1H-benzimidazol-4-yl)-1-ethylpyrazole-4-sulfonamide
CID 71998050
1-ethyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]pyrazole-4-sulfonamide
CID 84592273
2-[4-[(1-ethylpyrazol-4-yl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 43543582
N-(1-ethylpyrazol-4-yl)-4-hydrazinylbenzenesulfonamide
CID 43543964
N-(1-ethylpyrazol-4-yl)sulfonyl-3-methylbutanamide
CID 71978358
N-[3-chloro-2-(hydroxymethyl)-6-methylphenyl]-1-ethylpyrazole-4-sulfonamide
CID 167927169
1-ethyl-N-([1,2,4]triazolo[1,5-a]pyridin-8-yl)pyrazole-4-sulfonamide
CID 53190705
N-[1-(2,5-dimethoxyphenyl)ethyl]-1-ethylpyrazole-4-sulfonamide
CID 6464996
1-ethyl-N-heptan-2-ylpyrazole-4-sulfonamide
CID 19681322

Frequently Asked Questions

What is the IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-1-ethylpyrazole-4-sulfonamide?
The IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-1-ethylpyrazole-4-sulfonamide (CID 19684001) is N-[2,6-di(propan-2-yl)phenyl]-1-ethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[2,6-di(propan-2-yl)phenyl]-1-ethylpyrazole-4-sulfonamide?
The canonical SMILES for N-[2,6-di(propan-2-yl)phenyl]-1-ethylpyrazole-4-sulfonamide is CCn1cc(S(=O)(=O)Nc2c(C(C)C)cccc2C(C)C)cn1.
What is the InChIKey of N-[2,6-di(propan-2-yl)phenyl]-1-ethylpyrazole-4-sulfonamide?
The InChIKey is RAEQSABHPBRXPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2S/c1-6-20-11-14(10-18-20)23(21,22)19-17-15(12(2)3)8-7-9-16(17)13(4)5/h7-13,19H,6H2,1-5H3.
What are the key properties of N-[2,6-di(propan-2-yl)phenyl]-1-ethylpyrazole-4-sulfonamide?
N-[2,6-di(propan-2-yl)phenyl]-1-ethylpyrazole-4-sulfonamide has a molecular weight of 335.47 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-di(propan-2-yl)phenyl]-1-ethylpyrazole-4-sulfonamide is sourced from PubChem (CID 19684001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).