N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-3,4-dimethyl-5-sulfamoylbenzamide

C19H19FN4O3S — CID 112810175

IUPACN-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-3,4-dimethyl-5-sulfamoylbenzamide
SMILESCc1cc(NC(=O)c2cc(C)c(C)c(S(N)(=O)=O)c2)n(-c2ccc(F)cc2)n1
InChIInChI=1S/C19H19FN4O3S/c1-11-8-14(10-17(13(11)3)28(21,26)27)19(25)22-18-9-12(2)23-24(18)16-6-4-15(20)5-7-16/h4-10H,1-3H3,(H,22,25)(H2,21,26,27)
InChIKeyFPOLNIAGBBBIIE-UHFFFAOYSA-N
MW402.45 g/mol
LogP2.84
Rot. Bonds4

About N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-3,4-dimethyl-5-sulfamoylbenzamide

N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-3,4-dimethyl-5-sulfamoylbenzamide (PubChem CID 112810175) has the molecular formula C19H19FN4O3S and a molecular weight of 402.45 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-3,4-dimethyl-5-sulfamoylbenzamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-3,4-dimethyl-5-sulfamoylbenzamide
PubChem CID112810175
Molecular FormulaC19H19FN4O3S
Molecular Weight402.45 g/mol
Exact Mass402.12
IUPAC NameN-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-3,4-dimethyl-5-sulfamoylbenzamide
SMILESCc1cc(NC(=O)c2cc(C)c(C)c(S(N)(=O)=O)c2)n(-c2ccc(F)cc2)n1
InChIInChI=1S/C19H19FN4O3S/c1-11-8-14(10-17(13(11)3)28(21,26)27)19(25)22-18-9-12(2)23-24(18)16-6-4-15(20)5-7-16/h4-10H,1-3H3,(H,22,25)(H2,21,26,27)
InChIKeyFPOLNIAGBBBIIE-UHFFFAOYSA-N
XLogP2.84
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-3,4-dimethyl-5-sulfamoylbenzamide?
The IUPAC name of N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-3,4-dimethyl-5-sulfamoylbenzamide (CID 112810175) is N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-3,4-dimethyl-5-sulfamoylbenzamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-3,4-dimethyl-5-sulfamoylbenzamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-3,4-dimethyl-5-sulfamoylbenzamide is Cc1cc(NC(=O)c2cc(C)c(C)c(S(N)(=O)=O)c2)n(-c2ccc(F)cc2)n1.
What is the InChIKey of N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-3,4-dimethyl-5-sulfamoylbenzamide?
The InChIKey is FPOLNIAGBBBIIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O3S/c1-11-8-14(10-17(13(11)3)28(21,26)27)19(25)22-18-9-12(2)23-24(18)16-6-4-15(20)5-7-16/h4-10H,1-3H3,(H,22,25)(H2,21,26,27).
What are the key properties of N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-3,4-dimethyl-5-sulfamoylbenzamide?
N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-3,4-dimethyl-5-sulfamoylbenzamide has a molecular weight of 402.45 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-3,4-dimethyl-5-sulfamoylbenzamide is sourced from PubChem (CID 112810175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).