N-[1-(3-fluorophenyl)-2,2-dimethylpropyl]-1,3,5-trimethylpyrazole-4-sulfonamide

C17H24FN3O2S — CID 75424537

IUPACN-[1-(3-fluorophenyl)-2,2-dimethylpropyl]-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)NC(c1cccc(F)c1)C(C)(C)C
InChIInChI=1S/C17H24FN3O2S/c1-11-15(12(2)21(6)19-11)24(22,23)20-16(17(3,4)5)13-8-7-9-14(18)10-13/h7-10,16,20H,1-6H3
InChIKeyRQZMUKZJSAGWOR-UHFFFAOYSA-N
MW353.46 g/mol
LogP3.24
Rot. Bonds4

About N-[1-(3-fluorophenyl)-2,2-dimethylpropyl]-1,3,5-trimethylpyrazole-4-sulfonamide

N-[1-(3-fluorophenyl)-2,2-dimethylpropyl]-1,3,5-trimethylpyrazole-4-sulfonamide (PubChem CID 75424537) has the molecular formula C17H24FN3O2S and a molecular weight of 353.46 g/mol. Its IUPAC name is N-[1-(3-fluorophenyl)-2,2-dimethylpropyl]-1,3,5-trimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[1-(3-fluorophenyl)-2,2-dimethylpropyl]-1,3,5-trimethylpyrazole-4-sulfonamide
PubChem CID75424537
Molecular FormulaC17H24FN3O2S
Molecular Weight353.46 g/mol
Exact Mass353.16
IUPAC NameN-[1-(3-fluorophenyl)-2,2-dimethylpropyl]-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)NC(c1cccc(F)c1)C(C)(C)C
InChIInChI=1S/C17H24FN3O2S/c1-11-15(12(2)21(6)19-11)24(22,23)20-16(17(3,4)5)13-8-7-9-14(18)10-13/h7-10,16,20H,1-6H3
InChIKeyRQZMUKZJSAGWOR-UHFFFAOYSA-N
XLogP3.24
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-4-methylbenzenesulfonamide
CID 6499783
N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl)-4-methylbenzenesulfonamide
CID 6499784
4-fluoro-N-methyl-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide
CID 757080
N-[2-(4-chlorophenyl)ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 5123202
1,3-dimethyl-N-(1-phenylpropyl)-1H-pyrazole-4-sulfonamide
CID 6469875
(1S,3R)-N-((5-(3,5-difluorophenyl)-4-methyl-1-(2-(methylsulfonyl)ethyl)-1H-pyrazol-3-yl)methyl)-3-fluorocyclopentanamine
CID 45267506
4-ethyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
CID 895190
4-[1-Ethyl-4-(4-fluoro-phenyl)-5-trifluoromethyl-1H-pyrazol-3-yl]-benzenesulfonamide
CID 10223461
4-tert-butyl-2,6-dimethyl-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzene-1-sulfonamide
CID 17482507
US9156811, Ddd99832
CID 58561078
US9156811, Ddd100093
CID 58561177
US9156811, Ddd99825
CID 58561213

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluorophenyl)-2,2-dimethylpropyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
The IUPAC name of N-[1-(3-fluorophenyl)-2,2-dimethylpropyl]-1,3,5-trimethylpyrazole-4-sulfonamide (CID 75424537) is N-[1-(3-fluorophenyl)-2,2-dimethylpropyl]-1,3,5-trimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[1-(3-fluorophenyl)-2,2-dimethylpropyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-[1-(3-fluorophenyl)-2,2-dimethylpropyl]-1,3,5-trimethylpyrazole-4-sulfonamide is Cc1nn(C)c(C)c1S(=O)(=O)NC(c1cccc(F)c1)C(C)(C)C.
What is the InChIKey of N-[1-(3-fluorophenyl)-2,2-dimethylpropyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
The InChIKey is RQZMUKZJSAGWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3O2S/c1-11-15(12(2)21(6)19-11)24(22,23)20-16(17(3,4)5)13-8-7-9-14(18)10-13/h7-10,16,20H,1-6H3.
What are the key properties of N-[1-(3-fluorophenyl)-2,2-dimethylpropyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
N-[1-(3-fluorophenyl)-2,2-dimethylpropyl]-1,3,5-trimethylpyrazole-4-sulfonamide has a molecular weight of 353.46 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluorophenyl)-2,2-dimethylpropyl]-1,3,5-trimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 75424537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).