N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-4-[(3,4-dimethylphenyl)sulfonylamino]benzamide

C20H20F2N4O3S — CID 146100812

IUPACN-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-4-[(3,4-dimethylphenyl)sulfonylamino]benzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cn(C)nc3C(F)F)cc2)cc1C
InChIInChI=1S/C20H20F2N4O3S/c1-12-4-9-16(10-13(12)2)30(28,29)25-15-7-5-14(6-8-15)20(27)23-17-11-26(3)24-18(17)19(21)22/h4-11,19,25H,1-3H3,(H,23,27)
InChIKeyNKGYPIXXWKNQQW-UHFFFAOYSA-N
MW434.47 g/mol
LogP4.03
Rot. Bonds6

About N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-4-[(3,4-dimethylphenyl)sulfonylamino]benzamide

N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-4-[(3,4-dimethylphenyl)sulfonylamino]benzamide (PubChem CID 146100812) has the molecular formula C20H20F2N4O3S and a molecular weight of 434.47 g/mol. Its IUPAC name is N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-4-[(3,4-dimethylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-4-[(3,4-dimethylphenyl)sulfonylamino]benzamide
PubChem CID146100812
Molecular FormulaC20H20F2N4O3S
Molecular Weight434.47 g/mol
Exact Mass434.12
IUPAC NameN-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-4-[(3,4-dimethylphenyl)sulfonylamino]benzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cn(C)nc3C(F)F)cc2)cc1C
InChIInChI=1S/C20H20F2N4O3S/c1-12-4-9-16(10-13(12)2)30(28,29)25-15-7-5-14(6-8-15)20(27)23-17-11-26(3)24-18(17)19(21)22/h4-11,19,25H,1-3H3,(H,23,27)
InChIKeyNKGYPIXXWKNQQW-UHFFFAOYSA-N
XLogP4.03
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.47
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3,4-dimethylphenyl)sulfonylamino]-N-(4-fluoro-2-methylphenyl)benzamide
CID 26886474
4-[(3,4-dimethylphenyl)sulfonylamino]-N-(2-fluoro-5-methylphenyl)benzamide
CID 26684839
4-[(3,4-dimethylphenyl)sulfonylamino]-N-[2-(propan-2-ylcarbamoylamino)phenyl]benzamide
CID 55964177
4-[(3,4-dimethylphenyl)sulfonylamino]-N-(1H-pyrazol-5-yl)benzamide
CID 47835624
4-[(3,4-dimethylphenyl)sulfonylamino]-N-(3-methylbutan-2-yl)benzamide
CID 46651145
N-(2,5-dimethylpyrazol-3-yl)-4-[(4-methyl-3-nitrophenyl)sulfonylamino]benzamide
CID 46412532
4-[(3,4-dimethylphenyl)sulfonylamino]-N-ethylbenzamide
CID 51163080
4-[(3,4-dimethylphenyl)sulfonylamino]-N-(3-hydroxy-2-pyridinyl)benzamide
CID 30162680
4-[(3,4-dimethylphenyl)sulfonylamino]-N-[4-(2-methoxyethoxy)phenyl]benzamide
CID 55658123
4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(4-fluorophenyl)benzamide
CID 42053342
N-(4-fluoro-2-methylphenyl)-4-[(4-methyl-3-nitrophenyl)sulfonylamino]benzamide
CID 26886321
4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(4-hydroxyphenyl)benzamide
CID 112771839

Frequently Asked Questions

What is the IUPAC name of N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-4-[(3,4-dimethylphenyl)sulfonylamino]benzamide?
The IUPAC name of N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-4-[(3,4-dimethylphenyl)sulfonylamino]benzamide (CID 146100812) is N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-4-[(3,4-dimethylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-4-[(3,4-dimethylphenyl)sulfonylamino]benzamide?
The canonical SMILES for N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-4-[(3,4-dimethylphenyl)sulfonylamino]benzamide is Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cn(C)nc3C(F)F)cc2)cc1C.
What is the InChIKey of N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-4-[(3,4-dimethylphenyl)sulfonylamino]benzamide?
The InChIKey is NKGYPIXXWKNQQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N4O3S/c1-12-4-9-16(10-13(12)2)30(28,29)25-15-7-5-14(6-8-15)20(27)23-17-11-26(3)24-18(17)19(21)22/h4-11,19,25H,1-3H3,(H,23,27).
What are the key properties of N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-4-[(3,4-dimethylphenyl)sulfonylamino]benzamide?
N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-4-[(3,4-dimethylphenyl)sulfonylamino]benzamide has a molecular weight of 434.47 g/mol, XLogP of 4.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-4-[(3,4-dimethylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 146100812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).