2-fluoro-N-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]-5-sulfamoylbenzamide

C16H21FN4O3S — CID 72871217

IUPAC2-fluoro-N-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]-5-sulfamoylbenzamide
SMILESCC(C)CN(Cc1cnn(C)c1)C(=O)c1cc(S(N)(=O)=O)ccc1F
InChIInChI=1S/C16H21FN4O3S/c1-11(2)8-21(10-12-7-19-20(3)9-12)16(22)14-6-13(25(18,23)24)4-5-15(14)17/h4-7,9,11H,8,10H2,1-3H3,(H2,18,23,24)
InChIKeyIQKCAPWXKCAFES-UHFFFAOYSA-N
MW368.43 g/mol
LogP1.50
Rot. Bonds6

About 2-fluoro-N-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]-5-sulfamoylbenzamide

2-fluoro-N-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]-5-sulfamoylbenzamide (PubChem CID 72871217) has the molecular formula C16H21FN4O3S and a molecular weight of 368.43 g/mol. Its IUPAC name is 2-fluoro-N-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]-5-sulfamoylbenzamide.

Molecular Properties

Compound Name2-fluoro-N-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]-5-sulfamoylbenzamide
PubChem CID72871217
Molecular FormulaC16H21FN4O3S
Molecular Weight368.43 g/mol
Exact Mass368.13
IUPAC Name2-fluoro-N-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]-5-sulfamoylbenzamide
SMILESCC(C)CN(Cc1cnn(C)c1)C(=O)c1cc(S(N)(=O)=O)ccc1F
InChIInChI=1S/C16H21FN4O3S/c1-11(2)8-21(10-12-7-19-20(3)9-12)16(22)14-6-13(25(18,23)24)4-5-15(14)17/h4-7,9,11H,8,10H2,1-3H3,(H2,18,23,24)
InChIKeyIQKCAPWXKCAFES-UHFFFAOYSA-N
XLogP1.50
TPSA98.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]-5-sulfamoylbenzamide?
The IUPAC name of 2-fluoro-N-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]-5-sulfamoylbenzamide (CID 72871217) is 2-fluoro-N-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]-5-sulfamoylbenzamide.
What is the SMILES notation for 2-fluoro-N-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]-5-sulfamoylbenzamide?
The canonical SMILES for 2-fluoro-N-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]-5-sulfamoylbenzamide is CC(C)CN(Cc1cnn(C)c1)C(=O)c1cc(S(N)(=O)=O)ccc1F.
What is the InChIKey of 2-fluoro-N-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]-5-sulfamoylbenzamide?
The InChIKey is IQKCAPWXKCAFES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4O3S/c1-11(2)8-21(10-12-7-19-20(3)9-12)16(22)14-6-13(25(18,23)24)4-5-15(14)17/h4-7,9,11H,8,10H2,1-3H3,(H2,18,23,24).
What are the key properties of 2-fluoro-N-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]-5-sulfamoylbenzamide?
2-fluoro-N-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]-5-sulfamoylbenzamide has a molecular weight of 368.43 g/mol, XLogP of 1.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]-5-sulfamoylbenzamide is sourced from PubChem (CID 72871217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).