N-[(2-bromo-5-fluorophenyl)methyl]-1-(4-chlorophenyl)sulfonylcyclopentane-1-carboxamide

C19H18BrClFNO3S — CID 55898827

IUPACN-[(2-bromo-5-fluorophenyl)methyl]-1-(4-chlorophenyl)sulfonylcyclopentane-1-carboxamide
SMILESO=C(NCc1cc(F)ccc1Br)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1
InChIInChI=1S/C19H18BrClFNO3S/c20-17-8-5-15(22)11-13(17)12-23-18(24)19(9-1-2-10-19)27(25,26)16-6-3-14(21)4-7-16/h3-8,11H,1-2,9-10,12H2,(H,23,24)
InChIKeyWGMNIZLXNHPGDP-UHFFFAOYSA-N
MW474.78 g/mol
LogP4.64
Rot. Bonds5

About N-[(2-bromo-5-fluorophenyl)methyl]-1-(4-chlorophenyl)sulfonylcyclopentane-1-carboxamide

N-[(2-bromo-5-fluorophenyl)methyl]-1-(4-chlorophenyl)sulfonylcyclopentane-1-carboxamide (PubChem CID 55898827) has the molecular formula C19H18BrClFNO3S and a molecular weight of 474.78 g/mol. Its IUPAC name is N-[(2-bromo-5-fluorophenyl)methyl]-1-(4-chlorophenyl)sulfonylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[(2-bromo-5-fluorophenyl)methyl]-1-(4-chlorophenyl)sulfonylcyclopentane-1-carboxamide
PubChem CID55898827
Molecular FormulaC19H18BrClFNO3S
Molecular Weight474.78 g/mol
Exact Mass472.99
IUPAC NameN-[(2-bromo-5-fluorophenyl)methyl]-1-(4-chlorophenyl)sulfonylcyclopentane-1-carboxamide
SMILESO=C(NCc1cc(F)ccc1Br)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1
InChIInChI=1S/C19H18BrClFNO3S/c20-17-8-5-15(22)11-13(17)12-23-18(24)19(9-1-2-10-19)27(25,26)16-6-3-14(21)4-7-16/h3-8,11H,1-2,9-10,12H2,(H,23,24)
InChIKeyWGMNIZLXNHPGDP-UHFFFAOYSA-N
XLogP4.64
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.78
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N-[(2-bromo-5-fluorophenyl)methyl]cycloheptane-1-carboxamide
CID 115443918
1-(4-chlorophenyl)sulfonyl-N-(2-hydroxyethyl)cyclopentane-1-carboxamide
CID 78840798
1-(4-chlorophenyl)sulfonyl-N-[3-(methylamino)propyl]cyclopentane-1-carboxamide
CID 119430175
1-(4-chlorophenyl)sulfonyl-N-[(2-methoxy-3-pyridinyl)methyl]cyclopentane-1-carboxamide
CID 37484665
1-acetamido-N-[(2-bromo-5-fluorophenyl)methyl]cyclohexane-1-carboxamide
CID 55981867
1-(4-chlorophenyl)sulfonyl-N-[(2-ethoxy-3-pyridinyl)methyl]cyclopentane-1-carboxamide
CID 37486545
N-(2-amino-2-methylpropyl)-1-(4-chlorophenyl)sulfonylcyclopentane-1-carboxamide;hydrochloride
CID 119626480
3-[[1-(4-chlorophenyl)sulfonylcyclopentanecarbonyl]amino]-2-methylpropanoic acid
CID 119237490
1-(4-chlorophenyl)sulfonyl-N-[(4-methylphenyl)methyl]cyclopropane-1-carboxamide
CID 22429126
1-(4-chlorophenyl)sulfonyl-N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)cyclopentane-1-carboxamide
CID 138992199
N-[(2-bromo-5-fluorophenyl)methyl]-1-(3-fluorophenyl)cyclobutane-1-carboxamide
CID 55900607
methyl 1-(4-chlorophenyl)sulfonylcyclopentane-1-carboxylate
CID 52542659

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-5-fluorophenyl)methyl]-1-(4-chlorophenyl)sulfonylcyclopentane-1-carboxamide?
The IUPAC name of N-[(2-bromo-5-fluorophenyl)methyl]-1-(4-chlorophenyl)sulfonylcyclopentane-1-carboxamide (CID 55898827) is N-[(2-bromo-5-fluorophenyl)methyl]-1-(4-chlorophenyl)sulfonylcyclopentane-1-carboxamide.
What is the SMILES notation for N-[(2-bromo-5-fluorophenyl)methyl]-1-(4-chlorophenyl)sulfonylcyclopentane-1-carboxamide?
The canonical SMILES for N-[(2-bromo-5-fluorophenyl)methyl]-1-(4-chlorophenyl)sulfonylcyclopentane-1-carboxamide is O=C(NCc1cc(F)ccc1Br)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1.
What is the InChIKey of N-[(2-bromo-5-fluorophenyl)methyl]-1-(4-chlorophenyl)sulfonylcyclopentane-1-carboxamide?
The InChIKey is WGMNIZLXNHPGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrClFNO3S/c20-17-8-5-15(22)11-13(17)12-23-18(24)19(9-1-2-10-19)27(25,26)16-6-3-14(21)4-7-16/h3-8,11H,1-2,9-10,12H2,(H,23,24).
What are the key properties of N-[(2-bromo-5-fluorophenyl)methyl]-1-(4-chlorophenyl)sulfonylcyclopentane-1-carboxamide?
N-[(2-bromo-5-fluorophenyl)methyl]-1-(4-chlorophenyl)sulfonylcyclopentane-1-carboxamide has a molecular weight of 474.78 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-5-fluorophenyl)methyl]-1-(4-chlorophenyl)sulfonylcyclopentane-1-carboxamide is sourced from PubChem (CID 55898827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).