3-[(4-chlorophenyl)methyl-(1-methylpyrazol-3-yl)sulfonylamino]-N-methylbenzamide

C19H19ClN4O3S — CID 66648490

IUPAC3-[(4-chlorophenyl)methyl-(1-methylpyrazol-3-yl)sulfonylamino]-N-methylbenzamide
SMILESCNC(=O)c1cccc(N(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccn(C)n2)c1
InChIInChI=1S/C19H19ClN4O3S/c1-21-19(25)15-4-3-5-17(12-15)24(13-14-6-8-16(20)9-7-14)28(26,27)18-10-11-23(2)22-18/h3-12H,13H2,1-2H3,(H,21,25)
InChIKeyUVICYDRIGQFBEW-UHFFFAOYSA-N
MW418.91 g/mol
LogP2.83
Rot. Bonds6

About 3-[(4-chlorophenyl)methyl-(1-methylpyrazol-3-yl)sulfonylamino]-N-methylbenzamide

3-[(4-chlorophenyl)methyl-(1-methylpyrazol-3-yl)sulfonylamino]-N-methylbenzamide (PubChem CID 66648490) has the molecular formula C19H19ClN4O3S and a molecular weight of 418.91 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methyl-(1-methylpyrazol-3-yl)sulfonylamino]-N-methylbenzamide.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methyl-(1-methylpyrazol-3-yl)sulfonylamino]-N-methylbenzamide
PubChem CID66648490
Molecular FormulaC19H19ClN4O3S
Molecular Weight418.91 g/mol
Exact Mass418.09
IUPAC Name3-[(4-chlorophenyl)methyl-(1-methylpyrazol-3-yl)sulfonylamino]-N-methylbenzamide
SMILESCNC(=O)c1cccc(N(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccn(C)n2)c1
InChIInChI=1S/C19H19ClN4O3S/c1-21-19(25)15-4-3-5-17(12-15)24(13-14-6-8-16(20)9-7-14)28(26,27)18-10-11-23(2)22-18/h3-12H,13H2,1-2H3,(H,21,25)
InChIKeyUVICYDRIGQFBEW-UHFFFAOYSA-N
XLogP2.83
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.91
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-chlorophenyl)methyl-(1-methylpyrazol-3-yl)sulfonylamino]-N-propan-2-ylbenzamide
CID 46182411
N-benzyl-3-[benzyl-(1-methylimidazol-4-yl)sulfonylamino]benzamide;3-[(4-chlorophenyl)methyl-(1-methylpyrazol-3-yl)sulfonylamino]-N-(2-hydroxyethyl)benzamide
CID 87354222
3-[(4-chlorophenyl)methyl-(1-methylimidazol-4-yl)sulfonylamino]-N-cyclobutylbenzamide
CID 66648351
tert-butyl 3-[(4-chlorophenyl)methyl-(1-methylimidazol-4-yl)sulfonylamino]benzoate
CID 68618788
N-[(4-chlorophenyl)methyl]-N-methyl-4-[(3-methyl-N-methylsulfonylanilino)methyl]benzamide
CID 46772102
N-[(4-chlorophenyl)methyl]-N-(3-methylphenyl)methanesulfonamide
CID 967645
3-[(4-chlorophenyl)methyl-pyridin-3-ylsulfonylamino]-N-cyclopropylbenzamide;3-[(4-chlorophenyl)methyl-pyridin-3-ylsulfonylamino]-N-(2-methoxyethyl)benzamide
CID 158026032
N-[(4-chlorophenyl)methyl]-N-[3-(3-hydroxyazetidine-1-carbonyl)phenyl]pyridine-3-sulfonamide
CID 66648190
3-[benzenesulfonyl(benzyl)amino]-N-tert-butylbenzamide;3-[benzenesulfonyl(benzyl)amino]-N-methylbenzamide;3-[benzenesulfonyl(benzyl)amino]-N-(3-phenylpropyl)benzamide
CID 158844600
3-[benzenesulfonyl(benzyl)amino]-N-(4-imidazol-1-ylphenyl)benzamide
CID 46182680
3-(diethylsulfamoyl)-N-methylbenzamide
CID 47099917
3-[(3-chlorophenyl)-methylsulfamoyl]-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide
CID 55575626

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)methyl-(1-methylpyrazol-3-yl)sulfonylamino]-N-methylbenzamide?
The IUPAC name of 3-[(4-chlorophenyl)methyl-(1-methylpyrazol-3-yl)sulfonylamino]-N-methylbenzamide (CID 66648490) is 3-[(4-chlorophenyl)methyl-(1-methylpyrazol-3-yl)sulfonylamino]-N-methylbenzamide.
What is the SMILES notation for 3-[(4-chlorophenyl)methyl-(1-methylpyrazol-3-yl)sulfonylamino]-N-methylbenzamide?
The canonical SMILES for 3-[(4-chlorophenyl)methyl-(1-methylpyrazol-3-yl)sulfonylamino]-N-methylbenzamide is CNC(=O)c1cccc(N(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccn(C)n2)c1.
What is the InChIKey of 3-[(4-chlorophenyl)methyl-(1-methylpyrazol-3-yl)sulfonylamino]-N-methylbenzamide?
The InChIKey is UVICYDRIGQFBEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O3S/c1-21-19(25)15-4-3-5-17(12-15)24(13-14-6-8-16(20)9-7-14)28(26,27)18-10-11-23(2)22-18/h3-12H,13H2,1-2H3,(H,21,25).
What are the key properties of 3-[(4-chlorophenyl)methyl-(1-methylpyrazol-3-yl)sulfonylamino]-N-methylbenzamide?
3-[(4-chlorophenyl)methyl-(1-methylpyrazol-3-yl)sulfonylamino]-N-methylbenzamide has a molecular weight of 418.91 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methyl-(1-methylpyrazol-3-yl)sulfonylamino]-N-methylbenzamide is sourced from PubChem (CID 66648490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).