2,4-dichloro-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-5-fluorobenzamide

C20H21Cl2FN2O3S — CID 16563331

IUPAC2,4-dichloro-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-5-fluorobenzamide
SMILESCN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=O)c2cc(F)c(Cl)cc2Cl)cc1
InChIInChI=1S/C20H21Cl2FN2O3S/c1-25(14-5-3-2-4-6-14)29(27,28)15-9-7-13(8-10-15)24-20(26)16-11-19(23)18(22)12-17(16)21/h7-12,14H,2-6H2,1H3,(H,24,26)
InChIKeyIVRSQCCUYPHDHA-UHFFFAOYSA-N
MW459.37 g/mol
LogP5.34
Rot. Bonds5

About 2,4-dichloro-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-5-fluorobenzamide

2,4-dichloro-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-5-fluorobenzamide (PubChem CID 16563331) has the molecular formula C20H21Cl2FN2O3S and a molecular weight of 459.37 g/mol. Its IUPAC name is 2,4-dichloro-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-5-fluorobenzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-5-fluorobenzamide
PubChem CID16563331
Molecular FormulaC20H21Cl2FN2O3S
Molecular Weight459.37 g/mol
Exact Mass458.06
IUPAC Name2,4-dichloro-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-5-fluorobenzamide
SMILESCN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=O)c2cc(F)c(Cl)cc2Cl)cc1
InChIInChI=1S/C20H21Cl2FN2O3S/c1-25(14-5-3-2-4-6-14)29(27,28)15-9-7-13(8-10-15)24-20(26)16-11-19(23)18(22)12-17(16)21/h7-12,14H,2-6H2,1H3,(H,24,26)
InChIKeyIVRSQCCUYPHDHA-UHFFFAOYSA-N
XLogP5.34
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.37
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-4-fluorobenzamide
CID 31288662
2,4-dichloro-N-[4-(dimethylsulfamoyl)phenyl]-5-fluorobenzamide
CID 27669089
2,3-dichloro-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]benzamide
CID 26906917
4-[cyclopentyl(methyl)sulfamoyl]-N-(4-fluorophenyl)benzamide
CID 7656086
N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-2,3-dimethylbenzamide
CID 52894118
[4-[cyclohexyl(methyl)sulfamoyl]phenyl]urea
CID 135231517
N-(4-chlorophenyl)-3-[cyclohexyl(methyl)sulfamoyl]benzamide
CID 2666126
N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]cyclopropanecarboxamide
CID 4924186
2-fluoro-N-[4-[methyl-(1-methylpiperidin-4-yl)sulfamoyl]phenyl]benzamide
CID 8781350
3-chloro-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-1-benzothiophene-2-carboxamide
CID 1263674
4-[cyclopentyl(methyl)sulfamoyl]-N-phenylbenzamide
CID 7656046
2,4-dichloro-N-(3-cyclopentyloxy-4-methoxyphenyl)-5-fluorobenzamide
CID 31871992

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-5-fluorobenzamide?
The IUPAC name of 2,4-dichloro-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-5-fluorobenzamide (CID 16563331) is 2,4-dichloro-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-5-fluorobenzamide.
What is the SMILES notation for 2,4-dichloro-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-5-fluorobenzamide?
The canonical SMILES for 2,4-dichloro-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-5-fluorobenzamide is CN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=O)c2cc(F)c(Cl)cc2Cl)cc1.
What is the InChIKey of 2,4-dichloro-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-5-fluorobenzamide?
The InChIKey is IVRSQCCUYPHDHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2FN2O3S/c1-25(14-5-3-2-4-6-14)29(27,28)15-9-7-13(8-10-15)24-20(26)16-11-19(23)18(22)12-17(16)21/h7-12,14H,2-6H2,1H3,(H,24,26).
What are the key properties of 2,4-dichloro-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-5-fluorobenzamide?
2,4-dichloro-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-5-fluorobenzamide has a molecular weight of 459.37 g/mol, XLogP of 5.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-5-fluorobenzamide is sourced from PubChem (CID 16563331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).