N-(2,3-dimethylphenyl)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]benzamide

C20H22N4O3S — CID 156601408

IUPACN-(2,3-dimethylphenyl)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]benzamide
SMILESCc1cccc(NC(=O)c2ccc(NS(=O)(=O)c3c(C)n[nH]c3C)cc2)c1C
InChIInChI=1S/C20H22N4O3S/c1-12-6-5-7-18(13(12)2)21-20(25)16-8-10-17(11-9-16)24-28(26,27)19-14(3)22-23-15(19)4/h5-11,24H,1-4H3,(H,21,25)(H,22,23)
InChIKeyHSBVLNKUPSOQHS-UHFFFAOYSA-N
MW398.49 g/mol
LogP3.70
Rot. Bonds5

About N-(2,3-dimethylphenyl)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]benzamide

N-(2,3-dimethylphenyl)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]benzamide (PubChem CID 156601408) has the molecular formula C20H22N4O3S and a molecular weight of 398.49 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]benzamide
PubChem CID156601408
Molecular FormulaC20H22N4O3S
Molecular Weight398.49 g/mol
Exact Mass398.14
IUPAC NameN-(2,3-dimethylphenyl)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]benzamide
SMILESCc1cccc(NC(=O)c2ccc(NS(=O)(=O)c3c(C)n[nH]c3C)cc2)c1C
InChIInChI=1S/C20H22N4O3S/c1-12-6-5-7-18(13(12)2)21-20(25)16-8-10-17(11-9-16)24-28(26,27)19-14(3)22-23-15(19)4/h5-11,24H,1-4H3,(H,21,25)(H,22,23)
InChIKeyHSBVLNKUPSOQHS-UHFFFAOYSA-N
XLogP3.70
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 53.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]benzamide?
The IUPAC name of N-(2,3-dimethylphenyl)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]benzamide (CID 156601408) is N-(2,3-dimethylphenyl)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]benzamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]benzamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]benzamide is Cc1cccc(NC(=O)c2ccc(NS(=O)(=O)c3c(C)n[nH]c3C)cc2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]benzamide?
The InChIKey is HSBVLNKUPSOQHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3S/c1-12-6-5-7-18(13(12)2)21-20(25)16-8-10-17(11-9-16)24-28(26,27)19-14(3)22-23-15(19)4/h5-11,24H,1-4H3,(H,21,25)(H,22,23).
What are the key properties of N-(2,3-dimethylphenyl)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]benzamide?
N-(2,3-dimethylphenyl)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]benzamide has a molecular weight of 398.49 g/mol, XLogP of 3.70, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]benzamide is sourced from PubChem (CID 156601408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).