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

C19H19ClN4O3S — CID 154630370

IUPAC3-[(4-chlorophenyl)sulfonylamino]-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
SMILESCc1ccc(C(=O)NCc2cnn(C)c2)cc1NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H19ClN4O3S/c1-13-3-4-15(19(25)21-10-14-11-22-24(2)12-14)9-18(13)23-28(26,27)17-7-5-16(20)6-8-17/h3-9,11-12,23H,10H2,1-2H3,(H,21,25)
InChIKeySAGLHEMRDQOQLW-UHFFFAOYSA-N
MW418.91 g/mol
LogP3.11
Rot. Bonds6

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

3-[(4-chlorophenyl)sulfonylamino]-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide (PubChem CID 154630370) has the molecular formula C19H19ClN4O3S and a molecular weight of 418.91 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)sulfonylamino]-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name3-[(4-chlorophenyl)sulfonylamino]-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
PubChem CID154630370
Molecular FormulaC19H19ClN4O3S
Molecular Weight418.91 g/mol
Exact Mass418.09
IUPAC Name3-[(4-chlorophenyl)sulfonylamino]-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
SMILESCc1ccc(C(=O)NCc2cnn(C)c2)cc1NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H19ClN4O3S/c1-13-3-4-15(19(25)21-10-14-11-22-24(2)12-14)9-18(13)23-28(26,27)17-7-5-16(20)6-8-17/h3-9,11-12,23H,10H2,1-2H3,(H,21,25)
InChIKeySAGLHEMRDQOQLW-UHFFFAOYSA-N
XLogP3.11
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.91
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(6-methoxy-3-pyridinyl)sulfonylamino]-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 166888194
3-(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 166888076
4-methyl-3-[(4-methylphenyl)sulfonylamino]-N-[(1-propylpyrazol-4-yl)methyl]benzamide
CID 150660844
3-[(4-methylphenyl)sulfonylamino]-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 154630397
4-methyl-3-[(4-methylphenyl)sulfonylamino]-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 46767776
3-fluoro-5-[(4-methylphenyl)sulfonylamino]-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 154630388
4-fluoro-N-[(1-methylpyrazol-4-yl)methyl]-3-sulfanylbenzamide
CID 107027465
2-(4-chlorobenzoyl)-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 19292438
3-bromo-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 19292435
3-[(4-chlorophenyl)sulfonylamino]-4-piperazin-1-yl-N-(pyridin-4-ylmethyl)benzamide
CID 46333589
5-chloro-2-hydrazinyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 55051270
1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
CID 19474553

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)sulfonylamino]-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
The IUPAC name of 3-[(4-chlorophenyl)sulfonylamino]-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide (CID 154630370) is 3-[(4-chlorophenyl)sulfonylamino]-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide.
What is the SMILES notation for 3-[(4-chlorophenyl)sulfonylamino]-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
The canonical SMILES for 3-[(4-chlorophenyl)sulfonylamino]-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide is Cc1ccc(C(=O)NCc2cnn(C)c2)cc1NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 3-[(4-chlorophenyl)sulfonylamino]-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
The InChIKey is SAGLHEMRDQOQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O3S/c1-13-3-4-15(19(25)21-10-14-11-22-24(2)12-14)9-18(13)23-28(26,27)17-7-5-16(20)6-8-17/h3-9,11-12,23H,10H2,1-2H3,(H,21,25).
What are the key properties of 3-[(4-chlorophenyl)sulfonylamino]-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
3-[(4-chlorophenyl)sulfonylamino]-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide has a molecular weight of 418.91 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)sulfonylamino]-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide is sourced from PubChem (CID 154630370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).