1-[(2,5-dibromophenyl)sulfonylamino]cyclobutane-1-carboxylic acid

C11H11Br2NO4S — CID 81164987

IUPAC1-[(2,5-dibromophenyl)sulfonylamino]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(NS(=O)(=O)c2cc(Br)ccc2Br)CCC1
InChIInChI=1S/C11H11Br2NO4S/c12-7-2-3-8(13)9(6-7)19(17,18)14-11(10(15)16)4-1-5-11/h2-3,6,14H,1,4-5H2,(H,15,16)
InChIKeyXRRJJDQZYPINHR-UHFFFAOYSA-N
MW413.09 g/mol
LogP2.50
Rot. Bonds4

About 1-[(2,5-dibromophenyl)sulfonylamino]cyclobutane-1-carboxylic acid

1-[(2,5-dibromophenyl)sulfonylamino]cyclobutane-1-carboxylic acid (PubChem CID 81164987) has the molecular formula C11H11Br2NO4S and a molecular weight of 413.09 g/mol. Its IUPAC name is 1-[(2,5-dibromophenyl)sulfonylamino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2,5-dibromophenyl)sulfonylamino]cyclobutane-1-carboxylic acid
PubChem CID81164987
Molecular FormulaC11H11Br2NO4S
Molecular Weight413.09 g/mol
Exact Mass410.88
IUPAC Name1-[(2,5-dibromophenyl)sulfonylamino]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(NS(=O)(=O)c2cc(Br)ccc2Br)CCC1
InChIInChI=1S/C11H11Br2NO4S/c12-7-2-3-8(13)9(6-7)19(17,18)14-11(10(15)16)4-1-5-11/h2-3,6,14H,1,4-5H2,(H,15,16)
InChIKeyXRRJJDQZYPINHR-UHFFFAOYSA-N
XLogP2.50
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.09
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-bromophenyl)sulfonylamino]cyclobutane-1-carboxylic acid
CID 71246784
1-[(2-bromo-4-methylphenyl)sulfonylamino]cyclobutane-1-carboxylic acid
CID 81164226
2,5-dibromo-N-(1-methylcyclopropyl)benzenesulfonamide
CID 115634630
1-[(2-bromo-4-methylphenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 43245132
1-[(4-bromonaphthalen-1-yl)sulfonylamino]cyclopropane-1-carboxylic acid
CID 142344597
1-[(3-bromothiophen-2-yl)sulfonylamino]cyclobutane-1-carboxylic acid
CID 81163629
2,5-dibromo-N-[4-(hydroxymethyl)oxan-4-yl]benzenesulfonamide
CID 106299191
1-[(4-bromo-3-fluorophenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 103862710
1-[(3-bromo-4-chlorophenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 106605170
2,4-dibromo-N-[1-(hydroxymethyl)cyclobutyl]benzenesulfonamide
CID 115903054
1-(naphthalen-1-ylsulfonylamino)cyclobutane-1-carboxylic acid
CID 114795458
1-(5-bromo-2-carbamoylanilino)cyclobutane-1-carboxylic acid
CID 114901144

Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dibromophenyl)sulfonylamino]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[(2,5-dibromophenyl)sulfonylamino]cyclobutane-1-carboxylic acid (CID 81164987) is 1-[(2,5-dibromophenyl)sulfonylamino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[(2,5-dibromophenyl)sulfonylamino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[(2,5-dibromophenyl)sulfonylamino]cyclobutane-1-carboxylic acid is O=C(O)C1(NS(=O)(=O)c2cc(Br)ccc2Br)CCC1.
What is the InChIKey of 1-[(2,5-dibromophenyl)sulfonylamino]cyclobutane-1-carboxylic acid?
The InChIKey is XRRJJDQZYPINHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Br2NO4S/c12-7-2-3-8(13)9(6-7)19(17,18)14-11(10(15)16)4-1-5-11/h2-3,6,14H,1,4-5H2,(H,15,16).
What are the key properties of 1-[(2,5-dibromophenyl)sulfonylamino]cyclobutane-1-carboxylic acid?
1-[(2,5-dibromophenyl)sulfonylamino]cyclobutane-1-carboxylic acid has a molecular weight of 413.09 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-dibromophenyl)sulfonylamino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 81164987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).