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

C19H20N4O3S — CID 154630397

IUPAC3-[(4-methylphenyl)sulfonylamino]-N-[(1-methylpyrazol-4-yl)methyl]benzamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCc3cnn(C)c3)c2)cc1
InChIInChI=1S/C19H20N4O3S/c1-14-6-8-18(9-7-14)27(25,26)22-17-5-3-4-16(10-17)19(24)20-11-15-12-21-23(2)13-15/h3-10,12-13,22H,11H2,1-2H3,(H,20,24)
InChIKeyQZEMTHPDWRZWOB-UHFFFAOYSA-N
MW384.46 g/mol
LogP2.46
Rot. Bonds6

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

3-[(4-methylphenyl)sulfonylamino]-N-[(1-methylpyrazol-4-yl)methyl]benzamide (PubChem CID 154630397) has the molecular formula C19H20N4O3S and a molecular weight of 384.46 g/mol. Its IUPAC name is 3-[(4-methylphenyl)sulfonylamino]-N-[(1-methylpyrazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name3-[(4-methylphenyl)sulfonylamino]-N-[(1-methylpyrazol-4-yl)methyl]benzamide
PubChem CID154630397
Molecular FormulaC19H20N4O3S
Molecular Weight384.46 g/mol
Exact Mass384.13
IUPAC Name3-[(4-methylphenyl)sulfonylamino]-N-[(1-methylpyrazol-4-yl)methyl]benzamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCc3cnn(C)c3)c2)cc1
InChIInChI=1S/C19H20N4O3S/c1-14-6-8-18(9-7-14)27(25,26)22-17-5-3-4-16(10-17)19(24)20-11-15-12-21-23(2)13-15/h3-10,12-13,22H,11H2,1-2H3,(H,20,24)
InChIKeyQZEMTHPDWRZWOB-UHFFFAOYSA-N
XLogP2.46
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 ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[(4-methylphenyl)sulfonylamino]-N-[(1-methylpyrazol-4-yl)methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-fluoro-5-[(4-methylphenyl)sulfonylamino]-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 154630388
3-bromo-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 19292435
3-[(4-chlorophenyl)sulfonylamino]-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 154630370
3-[(4-methylphenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)benzamide
CID 4157842
4-methyl-3-[(4-methylphenyl)sulfonylamino]-N-[(1-propylpyrazol-4-yl)methyl]benzamide
CID 150660844
3-(dimethylamino)-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 47375354
3-[(4-acetamidophenyl)sulfonylamino]-N-benzylbenzamide
CID 17377321
1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
CID 19474553
N-[(1-methylpyrazol-4-yl)methyl]-3-(piperidin-4-ylsulfamoyl)benzamide
CID 72866477
N,N-diethyl-3-[(1-methylpyrazol-4-yl)sulfonylamino]benzamide
CID 86980323
N-benzyl-3-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 7542047
3-(N'-hydroxycarbamimidoyl)-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 76928206

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylphenyl)sulfonylamino]-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
The IUPAC name of 3-[(4-methylphenyl)sulfonylamino]-N-[(1-methylpyrazol-4-yl)methyl]benzamide (CID 154630397) is 3-[(4-methylphenyl)sulfonylamino]-N-[(1-methylpyrazol-4-yl)methyl]benzamide.
What is the SMILES notation for 3-[(4-methylphenyl)sulfonylamino]-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
The canonical SMILES for 3-[(4-methylphenyl)sulfonylamino]-N-[(1-methylpyrazol-4-yl)methyl]benzamide is Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCc3cnn(C)c3)c2)cc1.
What is the InChIKey of 3-[(4-methylphenyl)sulfonylamino]-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
The InChIKey is QZEMTHPDWRZWOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3S/c1-14-6-8-18(9-7-14)27(25,26)22-17-5-3-4-16(10-17)19(24)20-11-15-12-21-23(2)13-15/h3-10,12-13,22H,11H2,1-2H3,(H,20,24).
What are the key properties of 3-[(4-methylphenyl)sulfonylamino]-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
3-[(4-methylphenyl)sulfonylamino]-N-[(1-methylpyrazol-4-yl)methyl]benzamide has a molecular weight of 384.46 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylphenyl)sulfonylamino]-N-[(1-methylpyrazol-4-yl)methyl]benzamide is sourced from PubChem (CID 154630397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).