1-[(2-bromo-4-methylphenyl)sulfonylamino]cyclohexane-1-carboxylic acid

C14H18BrNO4S — CID 43245132

IUPAC1-[(2-bromo-4-methylphenyl)sulfonylamino]cyclohexane-1-carboxylic acid
SMILESCc1ccc(S(=O)(=O)NC2(C(=O)O)CCCCC2)c(Br)c1
InChIInChI=1S/C14H18BrNO4S/c1-10-5-6-12(11(15)9-10)21(19,20)16-14(13(17)18)7-3-2-4-8-14/h5-6,9,16H,2-4,7-8H2,1H3,(H,17,18)
InChIKeyRZYBRQDQLUSKPN-UHFFFAOYSA-N
MW376.27 g/mol
LogP2.82
Rot. Bonds4

About 1-[(2-bromo-4-methylphenyl)sulfonylamino]cyclohexane-1-carboxylic acid

1-[(2-bromo-4-methylphenyl)sulfonylamino]cyclohexane-1-carboxylic acid (PubChem CID 43245132) has the molecular formula C14H18BrNO4S and a molecular weight of 376.27 g/mol. Its IUPAC name is 1-[(2-bromo-4-methylphenyl)sulfonylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2-bromo-4-methylphenyl)sulfonylamino]cyclohexane-1-carboxylic acid
PubChem CID43245132
Molecular FormulaC14H18BrNO4S
Molecular Weight376.27 g/mol
Exact Mass375.01
IUPAC Name1-[(2-bromo-4-methylphenyl)sulfonylamino]cyclohexane-1-carboxylic acid
SMILESCc1ccc(S(=O)(=O)NC2(C(=O)O)CCCCC2)c(Br)c1
InChIInChI=1S/C14H18BrNO4S/c1-10-5-6-12(11(15)9-10)21(19,20)16-14(13(17)18)7-3-2-4-8-14/h5-6,9,16H,2-4,7-8H2,1H3,(H,17,18)
InChIKeyRZYBRQDQLUSKPN-UHFFFAOYSA-N
XLogP2.82
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.27
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-bromo-4-methylphenyl)sulfonylamino]cyclobutane-1-carboxylic acid
CID 81164226
1-[(2-bromophenyl)sulfonylamino]cyclobutane-1-carboxylic acid
CID 71246784
2-bromo-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methylbenzenesulfonamide
CID 75431366
1-[(2,5-dibromophenyl)sulfonylamino]cyclobutane-1-carboxylic acid
CID 81164987
1-[(2,5-dimethylthiophen-3-yl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 43238264
1-[(3-bromo-4-chlorophenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 106605170
4-[(2-bromo-4-fluorophenyl)sulfonylamino]oxane-4-carboxylic acid
CID 115291981
1-[(4-bromo-3-fluorophenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 103862710
1-[(4-tert-butylphenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 18679392
1-[(2-chloro-4-fluorophenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 43361609
1-[(4-bromonaphthalen-1-yl)sulfonylamino]cyclopropane-1-carboxylic acid
CID 142344597
1-(2-carbamoyl-5-methylanilino)cyclohexane-1-carboxylic acid
CID 62307058

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromo-4-methylphenyl)sulfonylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[(2-bromo-4-methylphenyl)sulfonylamino]cyclohexane-1-carboxylic acid (CID 43245132) is 1-[(2-bromo-4-methylphenyl)sulfonylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[(2-bromo-4-methylphenyl)sulfonylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[(2-bromo-4-methylphenyl)sulfonylamino]cyclohexane-1-carboxylic acid is Cc1ccc(S(=O)(=O)NC2(C(=O)O)CCCCC2)c(Br)c1.
What is the InChIKey of 1-[(2-bromo-4-methylphenyl)sulfonylamino]cyclohexane-1-carboxylic acid?
The InChIKey is RZYBRQDQLUSKPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO4S/c1-10-5-6-12(11(15)9-10)21(19,20)16-14(13(17)18)7-3-2-4-8-14/h5-6,9,16H,2-4,7-8H2,1H3,(H,17,18).
What are the key properties of 1-[(2-bromo-4-methylphenyl)sulfonylamino]cyclohexane-1-carboxylic acid?
1-[(2-bromo-4-methylphenyl)sulfonylamino]cyclohexane-1-carboxylic acid has a molecular weight of 376.27 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromo-4-methylphenyl)sulfonylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 43245132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).