4-[(4-methoxyphenyl)sulfamoyl]-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide

C22H21F3N4O4S — CID 55834263

IUPAC4-[(4-methoxyphenyl)sulfamoyl]-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(C(=O)NCCNc3ncccc3C(F)(F)F)cc2)cc1
InChIInChI=1S/C22H21F3N4O4S/c1-33-17-8-6-16(7-9-17)29-34(31,32)18-10-4-15(5-11-18)21(30)28-14-13-27-20-19(22(23,24)25)3-2-12-26-20/h2-12,29H,13-14H2,1H3,(H,26,27)(H,28,30)
InChIKeyCVCIPHKRNIGYCQ-UHFFFAOYSA-N
MW494.50 g/mol
LogP3.75
Rot. Bonds9

About 4-[(4-methoxyphenyl)sulfamoyl]-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide

4-[(4-methoxyphenyl)sulfamoyl]-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide (PubChem CID 55834263) has the molecular formula C22H21F3N4O4S and a molecular weight of 494.50 g/mol. Its IUPAC name is 4-[(4-methoxyphenyl)sulfamoyl]-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide.

Molecular Properties

Compound Name4-[(4-methoxyphenyl)sulfamoyl]-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide
PubChem CID55834263
Molecular FormulaC22H21F3N4O4S
Molecular Weight494.50 g/mol
Exact Mass494.12
IUPAC Name4-[(4-methoxyphenyl)sulfamoyl]-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(C(=O)NCCNc3ncccc3C(F)(F)F)cc2)cc1
InChIInChI=1S/C22H21F3N4O4S/c1-33-17-8-6-16(7-9-17)29-34(31,32)18-10-4-15(5-11-18)21(30)28-14-13-27-20-19(22(23,24)25)3-2-12-26-20/h2-12,29H,13-14H2,1H3,(H,26,27)(H,28,30)
InChIKeyCVCIPHKRNIGYCQ-UHFFFAOYSA-N
XLogP3.75
TPSA109.42 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.50
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-3-(propan-2-ylsulfamoyl)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide
CID 55932878
4-[(4-methoxyphenyl)sulfamoyl]-N-[3-(methylamino)propyl]benzamide
CID 119431352
N-[[2-(dimethylamino)-3-pyridinyl]methyl]-4-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 55692728
N-[2-[di(propan-2-yl)amino]ethyl]-4-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 25466941
4-methoxy-N-[2-[[4-(trifluoromethylsulfonyl)benzoyl]amino]ethyl]benzamide
CID 55880093
4-[(4-methoxyphenyl)sulfamoyl]-N-(4-pyrimidin-2-yloxyphenyl)benzamide
CID 55825890
4-[(4-methoxyphenyl)sulfamoyl]-N-[2-oxo-2-(prop-2-ynylamino)ethyl]benzamide
CID 49396012
4-methoxy-2-methyl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzenesulfonamide
CID 87032884
4-[(4-methoxyphenyl)sulfamoyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 24560631
N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 55722270
2-(3-methoxyphenoxy)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide
CID 87036570
N-[2-(azepan-1-yl)ethyl]-4-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 37297933

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxyphenyl)sulfamoyl]-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide?
The IUPAC name of 4-[(4-methoxyphenyl)sulfamoyl]-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide (CID 55834263) is 4-[(4-methoxyphenyl)sulfamoyl]-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide.
What is the SMILES notation for 4-[(4-methoxyphenyl)sulfamoyl]-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide?
The canonical SMILES for 4-[(4-methoxyphenyl)sulfamoyl]-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide is COc1ccc(NS(=O)(=O)c2ccc(C(=O)NCCNc3ncccc3C(F)(F)F)cc2)cc1.
What is the InChIKey of 4-[(4-methoxyphenyl)sulfamoyl]-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide?
The InChIKey is CVCIPHKRNIGYCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N4O4S/c1-33-17-8-6-16(7-9-17)29-34(31,32)18-10-4-15(5-11-18)21(30)28-14-13-27-20-19(22(23,24)25)3-2-12-26-20/h2-12,29H,13-14H2,1H3,(H,26,27)(H,28,30).
What are the key properties of 4-[(4-methoxyphenyl)sulfamoyl]-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide?
4-[(4-methoxyphenyl)sulfamoyl]-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide has a molecular weight of 494.50 g/mol, XLogP of 3.75, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxyphenyl)sulfamoyl]-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide is sourced from PubChem (CID 55834263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).