N-[3-[(1-benzyl-3-methylpyrazol-4-yl)sulfonylamino]phenyl]acetamide

C19H20N4O3S — CID 42283121

IUPACN-[3-[(1-benzyl-3-methylpyrazol-4-yl)sulfonylamino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(NS(=O)(=O)c2cn(Cc3ccccc3)nc2C)c1
InChIInChI=1S/C19H20N4O3S/c1-14-19(13-23(21-14)12-16-7-4-3-5-8-16)27(25,26)22-18-10-6-9-17(11-18)20-15(2)24/h3-11,13,22H,12H2,1-2H3,(H,20,24)
InChIKeyUTQNPXMYOHKWIZ-UHFFFAOYSA-N
MW384.46 g/mol
LogP3.00
Rot. Bonds6

About N-[3-[(1-benzyl-3-methylpyrazol-4-yl)sulfonylamino]phenyl]acetamide

N-[3-[(1-benzyl-3-methylpyrazol-4-yl)sulfonylamino]phenyl]acetamide (PubChem CID 42283121) has the molecular formula C19H20N4O3S and a molecular weight of 384.46 g/mol. Its IUPAC name is N-[3-[(1-benzyl-3-methylpyrazol-4-yl)sulfonylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(1-benzyl-3-methylpyrazol-4-yl)sulfonylamino]phenyl]acetamide
PubChem CID42283121
Molecular FormulaC19H20N4O3S
Molecular Weight384.46 g/mol
Exact Mass384.13
IUPAC NameN-[3-[(1-benzyl-3-methylpyrazol-4-yl)sulfonylamino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(NS(=O)(=O)c2cn(Cc3ccccc3)nc2C)c1
InChIInChI=1S/C19H20N4O3S/c1-14-19(13-23(21-14)12-16-7-4-3-5-8-16)27(25,26)22-18-10-6-9-17(11-18)20-15(2)24/h3-11,13,22H,12H2,1-2H3,(H,20,24)
InChIKeyUTQNPXMYOHKWIZ-UHFFFAOYSA-N
XLogP3.00
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-N-(3,5-dimethylphenyl)-3-methylpyrazole-4-sulfonamide
CID 42283073
N-[3-[(3-methyl-1-propan-2-ylpyrazol-4-yl)sulfonylamino]phenyl]acetamide
CID 42282551
1-benzyl-N-(4-butylphenyl)-3-methylpyrazole-4-sulfonamide
CID 42283031
N-[3-[(1-cyclopentyl-3-methylpyrazol-4-yl)sulfonylamino]phenyl]acetamide
CID 42282836
1-ethyl-3-methyl-N-(3-methylphenyl)pyrazole-4-sulfonamide
CID 22773641
1-benzyl-3-methyl-N-(pyridin-4-ylmethyl)pyrazole-4-sulfonamide
CID 42283113
1-benzyl-3-methyl-N-(2,3,4-trifluorophenyl)pyrazole-4-sulfonamide
CID 42283111
ethyl 3-[(1-ethyl-3-methylpyrazol-4-yl)sulfonylamino]benzoate
CID 19683978
1-benzyl-N-(3-chloro-4-methylphenyl)-3-phenylpyrazole-4-sulfonamide
CID 42348788
N-[3-[(1,5-dimethylpyrazol-4-yl)sulfonylamino]phenyl]acetamide
CID 22202614
N-[4-[(1-benzyl-4-chloropyrazol-3-yl)sulfamoyl]phenyl]acetamide
CID 22207196
1-ethyl-3-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]pyrazole-4-sulfonamide
CID 22205282

Frequently Asked Questions

What is the IUPAC name of N-[3-[(1-benzyl-3-methylpyrazol-4-yl)sulfonylamino]phenyl]acetamide?
The IUPAC name of N-[3-[(1-benzyl-3-methylpyrazol-4-yl)sulfonylamino]phenyl]acetamide (CID 42283121) is N-[3-[(1-benzyl-3-methylpyrazol-4-yl)sulfonylamino]phenyl]acetamide.
What is the SMILES notation for N-[3-[(1-benzyl-3-methylpyrazol-4-yl)sulfonylamino]phenyl]acetamide?
The canonical SMILES for N-[3-[(1-benzyl-3-methylpyrazol-4-yl)sulfonylamino]phenyl]acetamide is CC(=O)Nc1cccc(NS(=O)(=O)c2cn(Cc3ccccc3)nc2C)c1.
What is the InChIKey of N-[3-[(1-benzyl-3-methylpyrazol-4-yl)sulfonylamino]phenyl]acetamide?
The InChIKey is UTQNPXMYOHKWIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3S/c1-14-19(13-23(21-14)12-16-7-4-3-5-8-16)27(25,26)22-18-10-6-9-17(11-18)20-15(2)24/h3-11,13,22H,12H2,1-2H3,(H,20,24).
What are the key properties of N-[3-[(1-benzyl-3-methylpyrazol-4-yl)sulfonylamino]phenyl]acetamide?
N-[3-[(1-benzyl-3-methylpyrazol-4-yl)sulfonylamino]phenyl]acetamide has a molecular weight of 384.46 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(1-benzyl-3-methylpyrazol-4-yl)sulfonylamino]phenyl]acetamide is sourced from PubChem (CID 42283121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).