N-(4-chloro-2,5-dimethoxyphenyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide

C21H18ClFN2O5S — CID 2553216

IUPACN-(4-chloro-2,5-dimethoxyphenyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide
SMILESCOc1cc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)c(OC)cc1Cl
InChIInChI=1S/C21H18ClFN2O5S/c1-29-19-12-18(20(30-2)11-17(19)22)24-21(26)13-3-7-15(8-4-13)25-31(27,28)16-9-5-14(23)6-10-16/h3-12,25H,1-2H3,(H,24,26)
InChIKeyVVHZVAHEFUZNTQ-UHFFFAOYSA-N
MW464.90 g/mol
LogP4.55
Rot. Bonds7

About N-(4-chloro-2,5-dimethoxyphenyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide

N-(4-chloro-2,5-dimethoxyphenyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide (PubChem CID 2553216) has the molecular formula C21H18ClFN2O5S and a molecular weight of 464.90 g/mol. Its IUPAC name is N-(4-chloro-2,5-dimethoxyphenyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-(4-chloro-2,5-dimethoxyphenyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide
PubChem CID2553216
Molecular FormulaC21H18ClFN2O5S
Molecular Weight464.90 g/mol
Exact Mass464.06
IUPAC NameN-(4-chloro-2,5-dimethoxyphenyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide
SMILESCOc1cc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)c(OC)cc1Cl
InChIInChI=1S/C21H18ClFN2O5S/c1-29-19-12-18(20(30-2)11-17(19)22)24-21(26)13-3-7-15(8-4-13)25-31(27,28)16-9-5-14(23)6-10-16/h3-12,25H,1-2H3,(H,24,26)
InChIKeyVVHZVAHEFUZNTQ-UHFFFAOYSA-N
XLogP4.55
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.90
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(4-fluorophenyl)sulfamoyl]-N-(2-methoxy-5-methylphenyl)benzamide
CID 26709820
N-(5-chloro-2,4-dimethoxyphenyl)-4-fluorobenzamide
CID 836286
N-(4-chloro-2,5-dimethoxyphenyl)-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 26620643
N-(4-chloro-2-methoxy-5-methylphenyl)-4-[(4-ethoxyphenyl)sulfamoyl]benzamide
CID 42992560
4-(benzenesulfonamido)-N-(3-chloro-4-methoxyphenyl)benzamide
CID 2982933
4-(benzenesulfonamido)-N-[4-[4-[[4-(benzenesulfonamido)benzoyl]amino]-3-methoxyphenyl]-2-methoxyphenyl]benzamide
CID 121043668
N-(2-methoxyphenyl)-4-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 7939173
2-chloro-5-[(4-fluorophenyl)sulfamoyl]-N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 2332788
N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3,5-dimethoxybenzamide
CID 1303974
N-(4-chloro-2,5-dimethoxyphenyl)-3-fluorobenzamide
CID 4060765
4-[(4-fluorophenyl)sulfamoyl]-N-(4-methylphenyl)benzamide
CID 2666297
N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 2982317

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide?
The IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide (CID 2553216) is N-(4-chloro-2,5-dimethoxyphenyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-(4-chloro-2,5-dimethoxyphenyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide?
The canonical SMILES for N-(4-chloro-2,5-dimethoxyphenyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide is COc1cc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)c(OC)cc1Cl.
What is the InChIKey of N-(4-chloro-2,5-dimethoxyphenyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide?
The InChIKey is VVHZVAHEFUZNTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClFN2O5S/c1-29-19-12-18(20(30-2)11-17(19)22)24-21(26)13-3-7-15(8-4-13)25-31(27,28)16-9-5-14(23)6-10-16/h3-12,25H,1-2H3,(H,24,26).
What are the key properties of N-(4-chloro-2,5-dimethoxyphenyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide?
N-(4-chloro-2,5-dimethoxyphenyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide has a molecular weight of 464.90 g/mol, XLogP of 4.55, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2,5-dimethoxyphenyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide is sourced from PubChem (CID 2553216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).