2-chloro-5-[(4-methoxyphenyl)-prop-2-enylsulfamoyl]-N-(3-pyrazol-1-ylpropyl)benzamide

C23H25ClN4O4S — CID 37393990

IUPAC2-chloro-5-[(4-methoxyphenyl)-prop-2-enylsulfamoyl]-N-(3-pyrazol-1-ylpropyl)benzamide
SMILESC=CCN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NCCCn2cccn2)c1
InChIInChI=1S/C23H25ClN4O4S/c1-3-14-28(18-6-8-19(32-2)9-7-18)33(30,31)20-10-11-22(24)21(17-20)23(29)25-12-4-15-27-16-5-13-26-27/h3,5-11,13,16-17H,1,4,12,14-15H2,2H3,(H,25,29)
InChIKeyKWYINDZMVGLWOT-UHFFFAOYSA-N
MW489.00 g/mol
LogP3.75
Rot. Bonds11

About 2-chloro-5-[(4-methoxyphenyl)-prop-2-enylsulfamoyl]-N-(3-pyrazol-1-ylpropyl)benzamide

2-chloro-5-[(4-methoxyphenyl)-prop-2-enylsulfamoyl]-N-(3-pyrazol-1-ylpropyl)benzamide (PubChem CID 37393990) has the molecular formula C23H25ClN4O4S and a molecular weight of 489.00 g/mol. Its IUPAC name is 2-chloro-5-[(4-methoxyphenyl)-prop-2-enylsulfamoyl]-N-(3-pyrazol-1-ylpropyl)benzamide.

Molecular Properties

Compound Name2-chloro-5-[(4-methoxyphenyl)-prop-2-enylsulfamoyl]-N-(3-pyrazol-1-ylpropyl)benzamide
PubChem CID37393990
Molecular FormulaC23H25ClN4O4S
Molecular Weight489.00 g/mol
Exact Mass488.13
IUPAC Name2-chloro-5-[(4-methoxyphenyl)-prop-2-enylsulfamoyl]-N-(3-pyrazol-1-ylpropyl)benzamide
SMILESC=CCN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NCCCn2cccn2)c1
InChIInChI=1S/C23H25ClN4O4S/c1-3-14-28(18-6-8-19(32-2)9-7-18)33(30,31)20-10-11-22(24)21(17-20)23(29)25-12-4-15-27-16-5-13-26-27/h3,5-11,13,16-17H,1,4,12,14-15H2,2H3,(H,25,29)
InChIKeyKWYINDZMVGLWOT-UHFFFAOYSA-N
XLogP3.75
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.00
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(2-chlorophenyl)-N-[4-(1-methylpyrazol-4-yl)oxy-3-sulfamoylphenyl]acetamide
CID 124125282
2-chloro-5-[(2-methoxyphenyl)-methylsulfamoyl]-N-pyridin-4-ylbenzamide
CID 24981748
3-[(4-chlorophenyl)sulfonylamino]-N-[1-(4-methoxyphenyl)pyrazol-4-yl]benzamide
CID 155535214
2-chloro-5-[(4-ethoxyphenyl)sulfamoyl]-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 16299580
4-[(4-chlorophenyl)sulfonylamino]-N-[1-(4-methoxyphenyl)pyrazol-4-yl]benzamide
CID 147384518
3-[(4-chlorophenyl)sulfonylamino]-N-[1-(3-methoxyphenyl)pyrazol-4-yl]benzamide
CID 155555935
N-[(2-Chlorophenyl)methyl]-2-[N-(4-methoxyphenyl)1,3,5-trimethyl-1H-pyrazole-4-sulfonamido]acetamide
CID 16007489
2-chloro-5-[(2-methoxyphenyl)-methylsulfamoyl]-N-(pyridin-3-ylmethyl)benzamide
CID 24982980
3-(benzenesulfonamido)-N-[1-(4-methoxyphenyl)pyrazol-4-yl]benzamide
CID 148390225
4-(benzenesulfonamido)-N-[1-(4-methoxyphenyl)pyrazol-4-yl]benzamide
CID 155519702
N-[4-[[5-(3-chlorobenzoyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]methyl]phenyl]-4-methoxybenzenesulfonamide
CID 168285148
1-[(2-chlorophenyl)methyl]-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)pyrazole-4-carboxamide
CID 24620432

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(4-methoxyphenyl)-prop-2-enylsulfamoyl]-N-(3-pyrazol-1-ylpropyl)benzamide?
The IUPAC name of 2-chloro-5-[(4-methoxyphenyl)-prop-2-enylsulfamoyl]-N-(3-pyrazol-1-ylpropyl)benzamide (CID 37393990) is 2-chloro-5-[(4-methoxyphenyl)-prop-2-enylsulfamoyl]-N-(3-pyrazol-1-ylpropyl)benzamide.
What is the SMILES notation for 2-chloro-5-[(4-methoxyphenyl)-prop-2-enylsulfamoyl]-N-(3-pyrazol-1-ylpropyl)benzamide?
The canonical SMILES for 2-chloro-5-[(4-methoxyphenyl)-prop-2-enylsulfamoyl]-N-(3-pyrazol-1-ylpropyl)benzamide is C=CCN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NCCCn2cccn2)c1.
What is the InChIKey of 2-chloro-5-[(4-methoxyphenyl)-prop-2-enylsulfamoyl]-N-(3-pyrazol-1-ylpropyl)benzamide?
The InChIKey is KWYINDZMVGLWOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4O4S/c1-3-14-28(18-6-8-19(32-2)9-7-18)33(30,31)20-10-11-22(24)21(17-20)23(29)25-12-4-15-27-16-5-13-26-27/h3,5-11,13,16-17H,1,4,12,14-15H2,2H3,(H,25,29).
What are the key properties of 2-chloro-5-[(4-methoxyphenyl)-prop-2-enylsulfamoyl]-N-(3-pyrazol-1-ylpropyl)benzamide?
2-chloro-5-[(4-methoxyphenyl)-prop-2-enylsulfamoyl]-N-(3-pyrazol-1-ylpropyl)benzamide has a molecular weight of 489.00 g/mol, XLogP of 3.75, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(4-methoxyphenyl)-prop-2-enylsulfamoyl]-N-(3-pyrazol-1-ylpropyl)benzamide is sourced from PubChem (CID 37393990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).