1-[(4-bromonaphthalen-1-yl)sulfonylamino]cyclopropane-1-carboxylic acid

C14H12BrNO4S — CID 142344597

IUPAC1-[(4-bromonaphthalen-1-yl)sulfonylamino]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(NS(=O)(=O)c2ccc(Br)c3ccccc23)CC1
InChIInChI=1S/C14H12BrNO4S/c15-11-5-6-12(10-4-2-1-3-9(10)11)21(19,20)16-14(7-8-14)13(17)18/h1-6,16H,7-8H2,(H,17,18)
InChIKeyALXFKMRGRXROQC-UHFFFAOYSA-N
MW370.22 g/mol
LogP2.50
Rot. Bonds4

About 1-[(4-bromonaphthalen-1-yl)sulfonylamino]cyclopropane-1-carboxylic acid

1-[(4-bromonaphthalen-1-yl)sulfonylamino]cyclopropane-1-carboxylic acid (PubChem CID 142344597) has the molecular formula C14H12BrNO4S and a molecular weight of 370.22 g/mol. Its IUPAC name is 1-[(4-bromonaphthalen-1-yl)sulfonylamino]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(4-bromonaphthalen-1-yl)sulfonylamino]cyclopropane-1-carboxylic acid
PubChem CID142344597
Molecular FormulaC14H12BrNO4S
Molecular Weight370.22 g/mol
Exact Mass368.97
IUPAC Name1-[(4-bromonaphthalen-1-yl)sulfonylamino]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(NS(=O)(=O)c2ccc(Br)c3ccccc23)CC1
InChIInChI=1S/C14H12BrNO4S/c15-11-5-6-12(10-4-2-1-3-9(10)11)21(19,20)16-14(7-8-14)13(17)18/h1-6,16H,7-8H2,(H,17,18)
InChIKeyALXFKMRGRXROQC-UHFFFAOYSA-N
XLogP2.50
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.22
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromonaphthalen-1-yl)sulfonylamino]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[(4-bromonaphthalen-1-yl)sulfonylamino]cyclopropane-1-carboxylic acid (CID 142344597) is 1-[(4-bromonaphthalen-1-yl)sulfonylamino]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[(4-bromonaphthalen-1-yl)sulfonylamino]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[(4-bromonaphthalen-1-yl)sulfonylamino]cyclopropane-1-carboxylic acid is O=C(O)C1(NS(=O)(=O)c2ccc(Br)c3ccccc23)CC1.
What is the InChIKey of 1-[(4-bromonaphthalen-1-yl)sulfonylamino]cyclopropane-1-carboxylic acid?
The InChIKey is ALXFKMRGRXROQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrNO4S/c15-11-5-6-12(10-4-2-1-3-9(10)11)21(19,20)16-14(7-8-14)13(17)18/h1-6,16H,7-8H2,(H,17,18).
What are the key properties of 1-[(4-bromonaphthalen-1-yl)sulfonylamino]cyclopropane-1-carboxylic acid?
1-[(4-bromonaphthalen-1-yl)sulfonylamino]cyclopropane-1-carboxylic acid has a molecular weight of 370.22 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-[(4-bromonaphthalen-1-yl)sulfonylamino]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 142344597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).