N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-methylpyrazole-4-sulfonamide

C14H19FN4O2S — CID 71895738

IUPACN-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-methylpyrazole-4-sulfonamide
SMILESCN(C)C(CNS(=O)(=O)c1cnn(C)c1)c1cccc(F)c1
InChIInChI=1S/C14H19FN4O2S/c1-18(2)14(11-5-4-6-12(15)7-11)9-17-22(20,21)13-8-16-19(3)10-13/h4-8,10,14,17H,9H2,1-3H3
InChIKeyAYZYZGHTMNMJPD-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.14
Rot. Bonds6

About N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-methylpyrazole-4-sulfonamide

N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-methylpyrazole-4-sulfonamide (PubChem CID 71895738) has the molecular formula C14H19FN4O2S and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-methylpyrazole-4-sulfonamide
PubChem CID71895738
Molecular FormulaC14H19FN4O2S
Molecular Weight326.40 g/mol
Exact Mass326.12
IUPAC NameN-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-methylpyrazole-4-sulfonamide
SMILESCN(C)C(CNS(=O)(=O)c1cnn(C)c1)c1cccc(F)c1
InChIInChI=1S/C14H19FN4O2S/c1-18(2)14(11-5-4-6-12(15)7-11)9-17-22(20,21)13-8-16-19(3)10-13/h4-8,10,14,17H,9H2,1-3H3
InChIKeyAYZYZGHTMNMJPD-UHFFFAOYSA-N
XLogP1.14
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-N-[2-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide
CID 1510182
1-ethyl-N-(5-fluoro-2-methylphenyl)-1H-pyrazole-4-sulfonamide
CID 1510184
1-methyl-1H-pyrazole-4-sulfonic acid 3-(3-benzyl-pyrrolidin-3-yl)benzylamide
CID 56836106
1-Methyl-1H-pyrazole-4-sulfonic acid 3-(3-benzyl-1-methyl-pyrrolidin-3-yl)-benzylamide
CID 56836167
N-[[3-(1-amino-3-phenylpropan-2-yl)phenyl]methyl]-1-methylpyrazole-4-sulfonamide
CID 56836670
N-[[3-[1-(dimethylamino)-3-phenylpropan-2-yl]phenyl]methyl]-1-methylpyrazole-4-sulfonamide
CID 56836751
N-[[3-[1-(azetidin-1-yl)-3-phenylpropan-2-yl]phenyl]methyl]-1-methylpyrazole-4-sulfonamide
CID 56836904
1,3-dimethyl-N-(1-phenylpropyl)-1H-pyrazole-4-sulfonamide
CID 6469875
N-(2-butan-2-ylphenyl)-1-ethylpyrazole-4-sulfonamide
CID 6464746
1-ethyl-N-[2-(4-fluorophenyl)ethyl]pyrazole-4-sulfonamide
CID 6469701
1-ethyl-N-(2-fluoro-5-methylphenyl)pyrazole-4-sulfonamide
CID 6470601
N-[[7-amino-8-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]-1-methylpyrazole-4-sulfonamide
CID 57471324

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-methylpyrazole-4-sulfonamide?
The IUPAC name of N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-methylpyrazole-4-sulfonamide (CID 71895738) is N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-methylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-methylpyrazole-4-sulfonamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-methylpyrazole-4-sulfonamide is CN(C)C(CNS(=O)(=O)c1cnn(C)c1)c1cccc(F)c1.
What is the InChIKey of N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-methylpyrazole-4-sulfonamide?
The InChIKey is AYZYZGHTMNMJPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN4O2S/c1-18(2)14(11-5-4-6-12(15)7-11)9-17-22(20,21)13-8-16-19(3)10-13/h4-8,10,14,17H,9H2,1-3H3.
What are the key properties of N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-methylpyrazole-4-sulfonamide?
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-methylpyrazole-4-sulfonamide has a molecular weight of 326.40 g/mol, XLogP of 1.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 71895738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).