1-[[(4-bromo-2-chlorophenyl)sulfonylamino]methyl]cyclopentane-1-carboxylic acid

C13H15BrClNO4S — CID 115433200

IUPAC1-[[(4-bromo-2-chlorophenyl)sulfonylamino]methyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(CNS(=O)(=O)c2ccc(Br)cc2Cl)CCCC1
InChIInChI=1S/C13H15BrClNO4S/c14-9-3-4-11(10(15)7-9)21(19,20)16-8-13(12(17)18)5-1-2-6-13/h3-4,7,16H,1-2,5-6,8H2,(H,17,18)
InChIKeyUILQUGYYMDOHFX-UHFFFAOYSA-N
MW396.69 g/mol
LogP3.03
Rot. Bonds5

About 1-[[(4-bromo-2-chlorophenyl)sulfonylamino]methyl]cyclopentane-1-carboxylic acid

1-[[(4-bromo-2-chlorophenyl)sulfonylamino]methyl]cyclopentane-1-carboxylic acid (PubChem CID 115433200) has the molecular formula C13H15BrClNO4S and a molecular weight of 396.69 g/mol. Its IUPAC name is 1-[[(4-bromo-2-chlorophenyl)sulfonylamino]methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(4-bromo-2-chlorophenyl)sulfonylamino]methyl]cyclopentane-1-carboxylic acid
PubChem CID115433200
Molecular FormulaC13H15BrClNO4S
Molecular Weight396.69 g/mol
Exact Mass394.96
IUPAC Name1-[[(4-bromo-2-chlorophenyl)sulfonylamino]methyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(CNS(=O)(=O)c2ccc(Br)cc2Cl)CCCC1
InChIInChI=1S/C13H15BrClNO4S/c14-9-3-4-11(10(15)7-9)21(19,20)16-8-13(12(17)18)5-1-2-6-13/h3-4,7,16H,1-2,5-6,8H2,(H,17,18)
InChIKeyUILQUGYYMDOHFX-UHFFFAOYSA-N
XLogP3.03
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.69
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[(4-bromo-2-chlorophenyl)sulfonylamino]methyl]cyclobutane-1-carboxylic acid
CID 115445482
1-[[(2,5-dichlorothiophen-3-yl)sulfonylamino]methyl]cyclopentane-1-carboxylic acid
CID 115433117
1-[[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]methyl]cyclopentane-1-carboxylic acid
CID 115433142
2-[1-[(4-bromo-2-chlorophenyl)sulfonylamino]cyclobutyl]acetic acid
CID 79845918
1-[[(4-chloro-2-methoxyphenyl)sulfonylamino]methyl]cyclobutane-1-carboxylic acid
CID 115445500
4-bromo-2-chloro-N-(cyclopentylmethyl)benzenesulfonamide
CID 46406690
1-[[(2-methylphenyl)sulfonylamino]methyl]cyclobutane-1-carboxylic acid
CID 113311040
1-[[(2,5-dimethylthiophen-3-yl)sulfonylamino]methyl]cyclopentane-1-carboxylic acid
CID 115433168
1-[[(2,4-dimethylphenyl)sulfonylamino]methyl]cyclopropane-1-carboxylic acid
CID 113312080
4-bromo-2-chloro-N-(3,3-difluoro-2-hydroxypropyl)benzenesulfonamide
CID 113318776
2-[(4-bromo-2-chlorophenyl)sulfonylamino]-N,N-dimethylacetamide
CID 40753294
1-[[(2-fluoro-5-methylphenyl)sulfonylamino]methyl]cyclobutane-1-carboxylic acid
CID 115445428

Frequently Asked Questions

What is the IUPAC name of 1-[[(4-bromo-2-chlorophenyl)sulfonylamino]methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[[(4-bromo-2-chlorophenyl)sulfonylamino]methyl]cyclopentane-1-carboxylic acid (CID 115433200) is 1-[[(4-bromo-2-chlorophenyl)sulfonylamino]methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[[(4-bromo-2-chlorophenyl)sulfonylamino]methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[[(4-bromo-2-chlorophenyl)sulfonylamino]methyl]cyclopentane-1-carboxylic acid is O=C(O)C1(CNS(=O)(=O)c2ccc(Br)cc2Cl)CCCC1.
What is the InChIKey of 1-[[(4-bromo-2-chlorophenyl)sulfonylamino]methyl]cyclopentane-1-carboxylic acid?
The InChIKey is UILQUGYYMDOHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrClNO4S/c14-9-3-4-11(10(15)7-9)21(19,20)16-8-13(12(17)18)5-1-2-6-13/h3-4,7,16H,1-2,5-6,8H2,(H,17,18).
What are the key properties of 1-[[(4-bromo-2-chlorophenyl)sulfonylamino]methyl]cyclopentane-1-carboxylic acid?
1-[[(4-bromo-2-chlorophenyl)sulfonylamino]methyl]cyclopentane-1-carboxylic acid has a molecular weight of 396.69 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(4-bromo-2-chlorophenyl)sulfonylamino]methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 115433200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).