1-[(4-bromo-3-fluorophenyl)sulfonylamino]cyclohexane-1-carboxylic acid

C13H15BrFNO4S — CID 103862710

IUPAC1-[(4-bromo-3-fluorophenyl)sulfonylamino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1(NS(=O)(=O)c2ccc(Br)c(F)c2)CCCCC1
InChIInChI=1S/C13H15BrFNO4S/c14-10-5-4-9(8-11(10)15)21(19,20)16-13(12(17)18)6-2-1-3-7-13/h4-5,8,16H,1-3,6-7H2,(H,17,18)
InChIKeyQBWNWRFOVADZCT-UHFFFAOYSA-N
MW380.24 g/mol
LogP2.65
Rot. Bonds4

About 1-[(4-bromo-3-fluorophenyl)sulfonylamino]cyclohexane-1-carboxylic acid

1-[(4-bromo-3-fluorophenyl)sulfonylamino]cyclohexane-1-carboxylic acid (PubChem CID 103862710) has the molecular formula C13H15BrFNO4S and a molecular weight of 380.24 g/mol. Its IUPAC name is 1-[(4-bromo-3-fluorophenyl)sulfonylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(4-bromo-3-fluorophenyl)sulfonylamino]cyclohexane-1-carboxylic acid
PubChem CID103862710
Molecular FormulaC13H15BrFNO4S
Molecular Weight380.24 g/mol
Exact Mass378.99
IUPAC Name1-[(4-bromo-3-fluorophenyl)sulfonylamino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1(NS(=O)(=O)c2ccc(Br)c(F)c2)CCCCC1
InChIInChI=1S/C13H15BrFNO4S/c14-10-5-4-9(8-11(10)15)21(19,20)16-13(12(17)18)6-2-1-3-7-13/h4-5,8,16H,1-3,6-7H2,(H,17,18)
InChIKeyQBWNWRFOVADZCT-UHFFFAOYSA-N
XLogP2.65
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.24
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-fluoro-4-methylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 43361594
1-[(3-bromo-4-chlorophenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 106605170
1-[(3-fluorophenyl)sulfonylamino]cycloheptane-1-carboxylic acid
CID 43341837
1-[(3,4-difluorophenyl)sulfonylamino]cyclohexane-1-carbothioamide
CID 61123074
N-[1-(aminomethyl)cyclopentyl]-4-bromo-3-fluorobenzenesulfonamide
CID 103828999
1-[(4-tert-butylphenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 18679392
1-[(4-methoxyphenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 974157
1-[(2,5-dibromophenyl)sulfonylamino]cyclobutane-1-carboxylic acid
CID 81164987
1-[(2-bromo-4-methylphenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 43245132
1-[(4-carbamoylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 43172930
1-[(4-phenoxyphenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 18679369
1-[(3-chloro-4-methoxyphenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 43172932

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromo-3-fluorophenyl)sulfonylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[(4-bromo-3-fluorophenyl)sulfonylamino]cyclohexane-1-carboxylic acid (CID 103862710) is 1-[(4-bromo-3-fluorophenyl)sulfonylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[(4-bromo-3-fluorophenyl)sulfonylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[(4-bromo-3-fluorophenyl)sulfonylamino]cyclohexane-1-carboxylic acid is O=C(O)C1(NS(=O)(=O)c2ccc(Br)c(F)c2)CCCCC1.
What is the InChIKey of 1-[(4-bromo-3-fluorophenyl)sulfonylamino]cyclohexane-1-carboxylic acid?
The InChIKey is QBWNWRFOVADZCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrFNO4S/c14-10-5-4-9(8-11(10)15)21(19,20)16-13(12(17)18)6-2-1-3-7-13/h4-5,8,16H,1-3,6-7H2,(H,17,18).
What are the key properties of 1-[(4-bromo-3-fluorophenyl)sulfonylamino]cyclohexane-1-carboxylic acid?
1-[(4-bromo-3-fluorophenyl)sulfonylamino]cyclohexane-1-carboxylic acid has a molecular weight of 380.24 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromo-3-fluorophenyl)sulfonylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 103862710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).