1-(4-fluorophenyl)-N-[(2S)-1-hydroxypropan-2-yl]-N,5-dimethylpyrazole-4-sulfonamide

C14H18FN3O3S — CID 97066461

IUPAC1-(4-fluorophenyl)-N-[(2S)-1-hydroxypropan-2-yl]-N,5-dimethylpyrazole-4-sulfonamide
SMILESCc1c(S(=O)(=O)N(C)[C@@H](C)CO)cnn1-c1ccc(F)cc1
InChIInChI=1S/C14H18FN3O3S/c1-10(9-19)17(3)22(20,21)14-8-16-18(11(14)2)13-6-4-12(15)5-7-13/h4-8,10,19H,9H2,1-3H3/t10-/m0/s1
InChIKeyGMQFPTDASIQIGN-JTQLQIEISA-N
MW327.38 g/mol
LogP1.32
Rot. Bonds5

About 1-(4-fluorophenyl)-N-[(2S)-1-hydroxypropan-2-yl]-N,5-dimethylpyrazole-4-sulfonamide

1-(4-fluorophenyl)-N-[(2S)-1-hydroxypropan-2-yl]-N,5-dimethylpyrazole-4-sulfonamide (PubChem CID 97066461) has the molecular formula C14H18FN3O3S and a molecular weight of 327.38 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[(2S)-1-hydroxypropan-2-yl]-N,5-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[(2S)-1-hydroxypropan-2-yl]-N,5-dimethylpyrazole-4-sulfonamide
PubChem CID97066461
Molecular FormulaC14H18FN3O3S
Molecular Weight327.38 g/mol
Exact Mass327.11
IUPAC Name1-(4-fluorophenyl)-N-[(2S)-1-hydroxypropan-2-yl]-N,5-dimethylpyrazole-4-sulfonamide
SMILESCc1c(S(=O)(=O)N(C)[C@@H](C)CO)cnn1-c1ccc(F)cc1
InChIInChI=1S/C14H18FN3O3S/c1-10(9-19)17(3)22(20,21)14-8-16-18(11(14)2)13-6-4-12(15)5-7-13/h4-8,10,19H,9H2,1-3H3/t10-/m0/s1
InChIKeyGMQFPTDASIQIGN-JTQLQIEISA-N
XLogP1.32
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-2-[ethyl-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]sulfonylamino]acetamide
CID 71854645
N-(1-aminopropan-2-yl)-1-(4-fluorophenyl)-N,5-dimethylpyrazole-4-carboxamide
CID 119582420
1-(4-fluorophenyl)-5-methylpyrazole-4-sulfinic acid
CID 165453860
2-amino-3-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]propan-1-ol;hydrochloride
CID 170892804
N-(1-hydroxypropan-2-yl)-N,2-dimethylbenzenesulfonamide
CID 115875785
N-ethyl-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethanamine
CID 61273138
1-(4-fluorophenyl)-N-iodo-5-methyl-N-propylpyrazole-4-carboxamide
CID 142010489
N-(1-hydroxypropan-2-yl)-N,2-dimethylpyrazole-3-sulfonamide
CID 104710142
N-(3-amino-2,2-dimethylpropyl)-1-(4-fluorophenyl)-N,5-dimethylpyrazole-4-carboxamide
CID 119653761
1-(4-fluorophenyl)-5-methyl-N-[[4-[methyl(propan-2-yl)carbamoyl]phenyl]methyl]pyrazole-4-carboxamide
CID 46414608
1-(4-fluorophenyl)-5-methyl-N-(2-methylbutan-2-yl)pyrazole-4-carboxamide
CID 37133499
2-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]acetaldehyde
CID 83887983

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[(2S)-1-hydroxypropan-2-yl]-N,5-dimethylpyrazole-4-sulfonamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[(2S)-1-hydroxypropan-2-yl]-N,5-dimethylpyrazole-4-sulfonamide (CID 97066461) is 1-(4-fluorophenyl)-N-[(2S)-1-hydroxypropan-2-yl]-N,5-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[(2S)-1-hydroxypropan-2-yl]-N,5-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[(2S)-1-hydroxypropan-2-yl]-N,5-dimethylpyrazole-4-sulfonamide is Cc1c(S(=O)(=O)N(C)[C@@H](C)CO)cnn1-c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[(2S)-1-hydroxypropan-2-yl]-N,5-dimethylpyrazole-4-sulfonamide?
The InChIKey is GMQFPTDASIQIGN-JTQLQIEISA-N. The full InChI is InChI=1S/C14H18FN3O3S/c1-10(9-19)17(3)22(20,21)14-8-16-18(11(14)2)13-6-4-12(15)5-7-13/h4-8,10,19H,9H2,1-3H3/t10-/m0/s1.
What are the key properties of 1-(4-fluorophenyl)-N-[(2S)-1-hydroxypropan-2-yl]-N,5-dimethylpyrazole-4-sulfonamide?
1-(4-fluorophenyl)-N-[(2S)-1-hydroxypropan-2-yl]-N,5-dimethylpyrazole-4-sulfonamide has a molecular weight of 327.38 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[(2S)-1-hydroxypropan-2-yl]-N,5-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 97066461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).