N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-fluoro-4-(4-methylpyrazol-1-yl)benzenesulfonamide

C17H20FN5O2S — CID 126792912

IUPACN-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-fluoro-4-(4-methylpyrazol-1-yl)benzenesulfonamide
SMILESCc1cnn(-c2ccc(S(=O)(=O)NC(C)c3cn(C)nc3C)cc2F)c1
InChIInChI=1S/C17H20FN5O2S/c1-11-8-19-23(9-11)17-6-5-14(7-16(17)18)26(24,25)21-13(3)15-10-22(4)20-12(15)2/h5-10,13,21H,1-4H3
InChIKeyVFDAUYPBZUJREA-UHFFFAOYSA-N
MW377.45 g/mol
LogP2.40
Rot. Bonds5

About N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-fluoro-4-(4-methylpyrazol-1-yl)benzenesulfonamide

N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-fluoro-4-(4-methylpyrazol-1-yl)benzenesulfonamide (PubChem CID 126792912) has the molecular formula C17H20FN5O2S and a molecular weight of 377.45 g/mol. Its IUPAC name is N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-fluoro-4-(4-methylpyrazol-1-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-fluoro-4-(4-methylpyrazol-1-yl)benzenesulfonamide
PubChem CID126792912
Molecular FormulaC17H20FN5O2S
Molecular Weight377.45 g/mol
Exact Mass377.13
IUPAC NameN-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-fluoro-4-(4-methylpyrazol-1-yl)benzenesulfonamide
SMILESCc1cnn(-c2ccc(S(=O)(=O)NC(C)c3cn(C)nc3C)cc2F)c1
InChIInChI=1S/C17H20FN5O2S/c1-11-8-19-23(9-11)17-6-5-14(7-16(17)18)26(24,25)21-13(3)15-10-22(4)20-12(15)2/h5-10,13,21H,1-4H3
InChIKeyVFDAUYPBZUJREA-UHFFFAOYSA-N
XLogP2.40
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-fluoro-4-(4-methylpyrazol-1-yl)benzenesulfonamide?
The IUPAC name of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-fluoro-4-(4-methylpyrazol-1-yl)benzenesulfonamide (CID 126792912) is N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-fluoro-4-(4-methylpyrazol-1-yl)benzenesulfonamide.
What is the SMILES notation for N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-fluoro-4-(4-methylpyrazol-1-yl)benzenesulfonamide?
The canonical SMILES for N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-fluoro-4-(4-methylpyrazol-1-yl)benzenesulfonamide is Cc1cnn(-c2ccc(S(=O)(=O)NC(C)c3cn(C)nc3C)cc2F)c1.
What is the InChIKey of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-fluoro-4-(4-methylpyrazol-1-yl)benzenesulfonamide?
The InChIKey is VFDAUYPBZUJREA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN5O2S/c1-11-8-19-23(9-11)17-6-5-14(7-16(17)18)26(24,25)21-13(3)15-10-22(4)20-12(15)2/h5-10,13,21H,1-4H3.
What are the key properties of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-fluoro-4-(4-methylpyrazol-1-yl)benzenesulfonamide?
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-fluoro-4-(4-methylpyrazol-1-yl)benzenesulfonamide has a molecular weight of 377.45 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-fluoro-4-(4-methylpyrazol-1-yl)benzenesulfonamide is sourced from PubChem (CID 126792912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).