2-[(2-bromo-6-chloro-4-fluorophenyl)sulfonylamino]-N-cyclopentylacetamide

C13H15BrClFN2O3S — CID 154858969

IUPAC2-[(2-bromo-6-chloro-4-fluorophenyl)sulfonylamino]-N-cyclopentylacetamide
SMILESO=C(CNS(=O)(=O)c1c(Cl)cc(F)cc1Br)NC1CCCC1
InChIInChI=1S/C13H15BrClFN2O3S/c14-10-5-8(16)6-11(15)13(10)22(20,21)17-7-12(19)18-9-3-1-2-4-9/h5-6,9,17H,1-4,7H2,(H,18,19)
InChIKeySKJLAGHIKGQKIF-UHFFFAOYSA-N
MW413.70 g/mol
LogP2.58
Rot. Bonds5

About 2-[(2-bromo-6-chloro-4-fluorophenyl)sulfonylamino]-N-cyclopentylacetamide

2-[(2-bromo-6-chloro-4-fluorophenyl)sulfonylamino]-N-cyclopentylacetamide (PubChem CID 154858969) has the molecular formula C13H15BrClFN2O3S and a molecular weight of 413.70 g/mol. Its IUPAC name is 2-[(2-bromo-6-chloro-4-fluorophenyl)sulfonylamino]-N-cyclopentylacetamide.

Molecular Properties

Compound Name2-[(2-bromo-6-chloro-4-fluorophenyl)sulfonylamino]-N-cyclopentylacetamide
PubChem CID154858969
Molecular FormulaC13H15BrClFN2O3S
Molecular Weight413.70 g/mol
Exact Mass411.97
IUPAC Name2-[(2-bromo-6-chloro-4-fluorophenyl)sulfonylamino]-N-cyclopentylacetamide
SMILESO=C(CNS(=O)(=O)c1c(Cl)cc(F)cc1Br)NC1CCCC1
InChIInChI=1S/C13H15BrClFN2O3S/c14-10-5-8(16)6-11(15)13(10)22(20,21)17-7-12(19)18-9-3-1-2-4-9/h5-6,9,17H,1-4,7H2,(H,18,19)
InChIKeySKJLAGHIKGQKIF-UHFFFAOYSA-N
XLogP2.58
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.70
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-2-[(3-fluorophenyl)sulfonylamino]acetamide
CID 154858378
N-cyclohexyl-2-[(2,4-difluorophenyl)sulfonylamino]acetamide
CID 51099663
2-(2-chloro-4,6-difluoroanilino)-N-cyclohexylacetamide
CID 82889686
2-bromo-6-chloro-4-fluoro-N-[[(3R)-piperidin-3-yl]methyl]benzenesulfonamide
CID 124696739
2-[(4-chloro-3-methylphenyl)sulfonylamino]-N-cyclohexylacetamide
CID 112990970
3-chloro-4-[[2-(cyclohexylamino)-2-oxoethyl]sulfamoyl]benzoic acid
CID 136531118
2-[(5-bromothiophen-2-yl)sulfonylamino]-N-cyclohexylacetamide
CID 15992302
2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]-N-cyclopropylacetamide
CID 43568485
N-[2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]ethyl]cyclopropanecarboxamide
CID 115572292
3-bromo-N-[2-(cyclohexylamino)-2-oxoethyl]-5-fluorobenzamide
CID 110625264
2-bromo-4,6-difluoro-N-[(2-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 64913911
2-[[5-chloro-6-(methylamino)-3-pyridinyl]sulfonylamino]-N-cyclopropylacetamide
CID 64601658

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-6-chloro-4-fluorophenyl)sulfonylamino]-N-cyclopentylacetamide?
The IUPAC name of 2-[(2-bromo-6-chloro-4-fluorophenyl)sulfonylamino]-N-cyclopentylacetamide (CID 154858969) is 2-[(2-bromo-6-chloro-4-fluorophenyl)sulfonylamino]-N-cyclopentylacetamide.
What is the SMILES notation for 2-[(2-bromo-6-chloro-4-fluorophenyl)sulfonylamino]-N-cyclopentylacetamide?
The canonical SMILES for 2-[(2-bromo-6-chloro-4-fluorophenyl)sulfonylamino]-N-cyclopentylacetamide is O=C(CNS(=O)(=O)c1c(Cl)cc(F)cc1Br)NC1CCCC1.
What is the InChIKey of 2-[(2-bromo-6-chloro-4-fluorophenyl)sulfonylamino]-N-cyclopentylacetamide?
The InChIKey is SKJLAGHIKGQKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrClFN2O3S/c14-10-5-8(16)6-11(15)13(10)22(20,21)17-7-12(19)18-9-3-1-2-4-9/h5-6,9,17H,1-4,7H2,(H,18,19).
What are the key properties of 2-[(2-bromo-6-chloro-4-fluorophenyl)sulfonylamino]-N-cyclopentylacetamide?
2-[(2-bromo-6-chloro-4-fluorophenyl)sulfonylamino]-N-cyclopentylacetamide has a molecular weight of 413.70 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-6-chloro-4-fluorophenyl)sulfonylamino]-N-cyclopentylacetamide is sourced from PubChem (CID 154858969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).