N-(1-methylpyrazol-3-yl)-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide

C19H18N4O3S — CID 17480120

IUPACN-(1-methylpyrazol-3-yl)-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
SMILESCn1ccc(NC(=O)c2ccc(NS(=O)(=O)/C=C/c3ccccc3)cc2)n1
InChIInChI=1S/C19H18N4O3S/c1-23-13-11-18(21-23)20-19(24)16-7-9-17(10-8-16)22-27(25,26)14-12-15-5-3-2-4-6-15/h2-14,22H,1H3,(H,20,21,24)/b14-12+
InChIKeyDFCWIPOBMXCYRU-WYMLVPIESA-N
MW382.45 g/mol
LogP3.09
Rot. Bonds6

About N-(1-methylpyrazol-3-yl)-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide

N-(1-methylpyrazol-3-yl)-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide (PubChem CID 17480120) has the molecular formula C19H18N4O3S and a molecular weight of 382.45 g/mol. Its IUPAC name is N-(1-methylpyrazol-3-yl)-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide.

Molecular Properties

Compound NameN-(1-methylpyrazol-3-yl)-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
PubChem CID17480120
Molecular FormulaC19H18N4O3S
Molecular Weight382.45 g/mol
Exact Mass382.11
IUPAC NameN-(1-methylpyrazol-3-yl)-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
SMILESCn1ccc(NC(=O)c2ccc(NS(=O)(=O)/C=C/c3ccccc3)cc2)n1
InChIInChI=1S/C19H18N4O3S/c1-23-13-11-18(21-23)20-19(24)16-7-9-17(10-8-16)22-27(25,26)14-12-15-5-3-2-4-6-15/h2-14,22H,1H3,(H,20,21,24)/b14-12+
InChIKeyDFCWIPOBMXCYRU-WYMLVPIESA-N
XLogP3.09
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.45
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-methylpyrazol-3-yl)-4-(phenylsulfamoyl)benzamide
CID 35799986
N-(2-methylphenyl)-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
CID 9341925
N-(4-ethylphenyl)-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
CID 9164162
N-(3-methyl-2-pyridinyl)-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
CID 24981657
ethyl 4-[[4-[[(E)-2-phenylethenyl]sulfonylamino]benzoyl]amino]benzoate
CID 24640952
N-[4-(3-methylbutanoylamino)phenyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
CID 33033292
N-(4-ethoxyphenyl)-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
CID 24638590
N-(3-ethylphenyl)-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
CID 27256502
N-(5-acetamido-2-methylphenyl)-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
CID 55692087
4-[[(E)-2-phenylethenyl]sulfonylamino]-N-[(1S)-1-phenylethyl]benzamide
CID 9315088
N-methoxy-N-methyl-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
CID 24542624
1-phenyl-3-[[4-[[(E)-2-phenylethenyl]sulfonylamino]benzoyl]amino]thiourea
CID 24644076

Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrazol-3-yl)-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide?
The IUPAC name of N-(1-methylpyrazol-3-yl)-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide (CID 17480120) is N-(1-methylpyrazol-3-yl)-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide.
What is the SMILES notation for N-(1-methylpyrazol-3-yl)-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide?
The canonical SMILES for N-(1-methylpyrazol-3-yl)-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide is Cn1ccc(NC(=O)c2ccc(NS(=O)(=O)/C=C/c3ccccc3)cc2)n1.
What is the InChIKey of N-(1-methylpyrazol-3-yl)-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide?
The InChIKey is DFCWIPOBMXCYRU-WYMLVPIESA-N. The full InChI is InChI=1S/C19H18N4O3S/c1-23-13-11-18(21-23)20-19(24)16-7-9-17(10-8-16)22-27(25,26)14-12-15-5-3-2-4-6-15/h2-14,22H,1H3,(H,20,21,24)/b14-12+.
What are the key properties of N-(1-methylpyrazol-3-yl)-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide?
N-(1-methylpyrazol-3-yl)-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide has a molecular weight of 382.45 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrazol-3-yl)-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide is sourced from PubChem (CID 17480120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).