3-fluoro-5-[(4-methylphenyl)sulfonylamino]-N-[(1-methylpyrazol-4-yl)methyl]benzamide

C19H19FN4O3S — CID 154630388

IUPAC3-fluoro-5-[(4-methylphenyl)sulfonylamino]-N-[(1-methylpyrazol-4-yl)methyl]benzamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(F)cc(C(=O)NCc3cnn(C)c3)c2)cc1
InChIInChI=1S/C19H19FN4O3S/c1-13-3-5-18(6-4-13)28(26,27)23-17-8-15(7-16(20)9-17)19(25)21-10-14-11-22-24(2)12-14/h3-9,11-12,23H,10H2,1-2H3,(H,21,25)
InChIKeyDKKXRIDJRWUMDR-UHFFFAOYSA-N
MW402.45 g/mol
LogP2.60
Rot. Bonds6

About 3-fluoro-5-[(4-methylphenyl)sulfonylamino]-N-[(1-methylpyrazol-4-yl)methyl]benzamide

3-fluoro-5-[(4-methylphenyl)sulfonylamino]-N-[(1-methylpyrazol-4-yl)methyl]benzamide (PubChem CID 154630388) has the molecular formula C19H19FN4O3S and a molecular weight of 402.45 g/mol. Its IUPAC name is 3-fluoro-5-[(4-methylphenyl)sulfonylamino]-N-[(1-methylpyrazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name3-fluoro-5-[(4-methylphenyl)sulfonylamino]-N-[(1-methylpyrazol-4-yl)methyl]benzamide
PubChem CID154630388
Molecular FormulaC19H19FN4O3S
Molecular Weight402.45 g/mol
Exact Mass402.12
IUPAC Name3-fluoro-5-[(4-methylphenyl)sulfonylamino]-N-[(1-methylpyrazol-4-yl)methyl]benzamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(F)cc(C(=O)NCc3cnn(C)c3)c2)cc1
InChIInChI=1S/C19H19FN4O3S/c1-13-3-5-18(6-4-13)28(26,27)23-17-8-15(7-16(20)9-17)19(25)21-10-14-11-22-24(2)12-14/h3-9,11-12,23H,10H2,1-2H3,(H,21,25)
InChIKeyDKKXRIDJRWUMDR-UHFFFAOYSA-N
XLogP2.60
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-methylphenyl)sulfonylamino]-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 154630397
3-[(4-chlorophenyl)sulfonylamino]-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 154630370
4-[(4-fluorophenyl)sulfamoyl]-N-[(4-methylphenyl)methyl]benzamide
CID 26850932
1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
CID 19474553
4-methyl-3-[(4-methylphenyl)sulfonylamino]-N-[(1-propylpyrazol-4-yl)methyl]benzamide
CID 150660844
3-chloro-5-[(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide
CID 139390901
2-hydroxy-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 47375361
N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-1-methylpyrazole-4-carboxamide
CID 18128242
3-[(6-methoxy-3-pyridinyl)sulfonylamino]-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 166888194
4-[(4-methylphenyl)sulfonylamino]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 46767206
4-[[[4-fluoro-3-(4-methyl-N-sulfinatoanilino)benzoyl]amino]methyl]-1-methylpyrazole
CID 175038970
4-fluoro-N-[(1-methylpyrazol-4-yl)methyl]-3-sulfanylbenzamide
CID 107027465

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-[(4-methylphenyl)sulfonylamino]-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
The IUPAC name of 3-fluoro-5-[(4-methylphenyl)sulfonylamino]-N-[(1-methylpyrazol-4-yl)methyl]benzamide (CID 154630388) is 3-fluoro-5-[(4-methylphenyl)sulfonylamino]-N-[(1-methylpyrazol-4-yl)methyl]benzamide.
What is the SMILES notation for 3-fluoro-5-[(4-methylphenyl)sulfonylamino]-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
The canonical SMILES for 3-fluoro-5-[(4-methylphenyl)sulfonylamino]-N-[(1-methylpyrazol-4-yl)methyl]benzamide is Cc1ccc(S(=O)(=O)Nc2cc(F)cc(C(=O)NCc3cnn(C)c3)c2)cc1.
What is the InChIKey of 3-fluoro-5-[(4-methylphenyl)sulfonylamino]-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
The InChIKey is DKKXRIDJRWUMDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O3S/c1-13-3-5-18(6-4-13)28(26,27)23-17-8-15(7-16(20)9-17)19(25)21-10-14-11-22-24(2)12-14/h3-9,11-12,23H,10H2,1-2H3,(H,21,25).
What are the key properties of 3-fluoro-5-[(4-methylphenyl)sulfonylamino]-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
3-fluoro-5-[(4-methylphenyl)sulfonylamino]-N-[(1-methylpyrazol-4-yl)methyl]benzamide has a molecular weight of 402.45 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-[(4-methylphenyl)sulfonylamino]-N-[(1-methylpyrazol-4-yl)methyl]benzamide is sourced from PubChem (CID 154630388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).