2-[(1-bromonaphthalen-2-yl)sulfonylamino]acetic acid

C12H10BrNO4S — CID 14457724

IUPAC2-[(1-bromonaphthalen-2-yl)sulfonylamino]acetic acid
SMILESO=C(O)CNS(=O)(=O)c1ccc2ccccc2c1Br
InChIInChI=1S/C12H10BrNO4S/c13-12-9-4-2-1-3-8(9)5-6-10(12)19(17,18)14-7-11(15)16/h1-6,14H,7H2,(H,15,16)
InChIKeyGEODAGQSGNACHI-UHFFFAOYSA-N
MW344.19 g/mol
LogP1.97
Rot. Bonds4

About 2-[(1-bromonaphthalen-2-yl)sulfonylamino]acetic acid

2-[(1-bromonaphthalen-2-yl)sulfonylamino]acetic acid (PubChem CID 14457724) has the molecular formula C12H10BrNO4S and a molecular weight of 344.19 g/mol. Its IUPAC name is 2-[(1-bromonaphthalen-2-yl)sulfonylamino]acetic acid.

Molecular Properties

Compound Name2-[(1-bromonaphthalen-2-yl)sulfonylamino]acetic acid
PubChem CID14457724
Molecular FormulaC12H10BrNO4S
Molecular Weight344.19 g/mol
Exact Mass342.95
IUPAC Name2-[(1-bromonaphthalen-2-yl)sulfonylamino]acetic acid
SMILESO=C(O)CNS(=O)(=O)c1ccc2ccccc2c1Br
InChIInChI=1S/C12H10BrNO4S/c13-12-9-4-2-1-3-8(9)5-6-10(12)19(17,18)14-7-11(15)16/h1-6,14H,7H2,(H,15,16)
InChIKeyGEODAGQSGNACHI-UHFFFAOYSA-N
XLogP1.97
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.19
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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2-[(2,4-dibromophenyl)sulfonylamino]acetic acid
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2-[[2-[(4-aminonaphthalen-1-yl)sulfonylamino]acetyl]amino]acetic acid
CID 67920315
N-(2-bromoprop-2-enyl)naphthalene-1-sulfonamide
CID 114795468
2-[(5-bromo-2-methylphenyl)sulfonylamino]acetic acid
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2-(1H-indol-2-ylsulfonylamino)acetic acid
CID 22400906
acetic acid;naphthalene-1,2-disulfonic acid
CID 162339249
2-[[4-(2-phenylethynyl)phenyl]sulfonylamino]acetic acid
CID 67588445
N'-(benzenesulfonyl)-2-(1-bromonaphthalen-2-yl)oxyacetohydrazide
CID 3387456
1H-benzo[g]indole-2-carboxylic acid
CID 645288
3-[[2-(benzylamino)-2-oxoethyl]sulfamoyl]-5-bromo-4-methylbenzoic acid
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2-(1-nitronaphthalen-2-yl)sulfonylacetic acid
CID 13221796

Frequently Asked Questions

What is the IUPAC name of 2-[(1-bromonaphthalen-2-yl)sulfonylamino]acetic acid?
The IUPAC name of 2-[(1-bromonaphthalen-2-yl)sulfonylamino]acetic acid (CID 14457724) is 2-[(1-bromonaphthalen-2-yl)sulfonylamino]acetic acid.
What is the SMILES notation for 2-[(1-bromonaphthalen-2-yl)sulfonylamino]acetic acid?
The canonical SMILES for 2-[(1-bromonaphthalen-2-yl)sulfonylamino]acetic acid is O=C(O)CNS(=O)(=O)c1ccc2ccccc2c1Br.
What is the InChIKey of 2-[(1-bromonaphthalen-2-yl)sulfonylamino]acetic acid?
The InChIKey is GEODAGQSGNACHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrNO4S/c13-12-9-4-2-1-3-8(9)5-6-10(12)19(17,18)14-7-11(15)16/h1-6,14H,7H2,(H,15,16).
What are the key properties of 2-[(1-bromonaphthalen-2-yl)sulfonylamino]acetic acid?
2-[(1-bromonaphthalen-2-yl)sulfonylamino]acetic acid has a molecular weight of 344.19 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-bromonaphthalen-2-yl)sulfonylamino]acetic acid is sourced from PubChem (CID 14457724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).