2-bromo-5-[methyl(2-methylpropyl)sulfamoyl]benzoic acid

C12H16BrNO4S — CID 43271847

IUPAC2-bromo-5-[methyl(2-methylpropyl)sulfamoyl]benzoic acid
SMILESCC(C)CN(C)S(=O)(=O)c1ccc(Br)c(C(=O)O)c1
InChIInChI=1S/C12H16BrNO4S/c1-8(2)7-14(3)19(17,18)9-4-5-11(13)10(6-9)12(15)16/h4-6,8H,7H2,1-3H3,(H,15,16)
InChIKeyOJRPPAOWKVWALG-UHFFFAOYSA-N
MW350.23 g/mol
LogP2.42
Rot. Bonds5

About 2-bromo-5-[methyl(2-methylpropyl)sulfamoyl]benzoic acid

2-bromo-5-[methyl(2-methylpropyl)sulfamoyl]benzoic acid (PubChem CID 43271847) has the molecular formula C12H16BrNO4S and a molecular weight of 350.23 g/mol. Its IUPAC name is 2-bromo-5-[methyl(2-methylpropyl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name2-bromo-5-[methyl(2-methylpropyl)sulfamoyl]benzoic acid
PubChem CID43271847
Molecular FormulaC12H16BrNO4S
Molecular Weight350.23 g/mol
Exact Mass349.00
IUPAC Name2-bromo-5-[methyl(2-methylpropyl)sulfamoyl]benzoic acid
SMILESCC(C)CN(C)S(=O)(=O)c1ccc(Br)c(C(=O)O)c1
InChIInChI=1S/C12H16BrNO4S/c1-8(2)7-14(3)19(17,18)9-4-5-11(13)10(6-9)12(15)16/h4-6,8H,7H2,1-3H3,(H,15,16)
InChIKeyOJRPPAOWKVWALG-UHFFFAOYSA-N
XLogP2.42
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.23
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-5-[methyl(propyl)sulfamoyl]benzoic acid
CID 43271131
4-bromo-3-fluoro-N-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 103697508
2-bromo-5-[(4-ethylphenyl)-(2-methylpropyl)sulfamoyl]benzoic acid
CID 86731598
2-bromo-5-[methyl(pentan-3-yl)sulfamoyl]benzoic acid
CID 43429131
3-amino-4-bromo-N-(2-hydroxypropyl)-N-methylbenzenesulfonamide
CID 115329228
2-chloro-5-[methyl(3-methylbutyl)sulfamoyl]benzoic acid
CID 60951203
2-bromo-5-[methyl(pent-4-enyl)sulfamoyl]benzoic acid
CID 104654962
4-[methyl(2-methylpropyl)sulfamoyl]benzoic acid
CID 43271840
2-bromo-5-(dipropylsulfamoyl)benzoic acid
CID 43216890
2-bromo-5-(3-methylbutylsulfamoyl)benzoic acid
CID 43216892
2-bromo-5-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]sulfonylbenzoic acid
CID 43323158
2-bromo-5-[2-cyanopropyl(ethyl)sulfamoyl]benzoic acid
CID 60951344

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[methyl(2-methylpropyl)sulfamoyl]benzoic acid?
The IUPAC name of 2-bromo-5-[methyl(2-methylpropyl)sulfamoyl]benzoic acid (CID 43271847) is 2-bromo-5-[methyl(2-methylpropyl)sulfamoyl]benzoic acid.
What is the SMILES notation for 2-bromo-5-[methyl(2-methylpropyl)sulfamoyl]benzoic acid?
The canonical SMILES for 2-bromo-5-[methyl(2-methylpropyl)sulfamoyl]benzoic acid is CC(C)CN(C)S(=O)(=O)c1ccc(Br)c(C(=O)O)c1.
What is the InChIKey of 2-bromo-5-[methyl(2-methylpropyl)sulfamoyl]benzoic acid?
The InChIKey is OJRPPAOWKVWALG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO4S/c1-8(2)7-14(3)19(17,18)9-4-5-11(13)10(6-9)12(15)16/h4-6,8H,7H2,1-3H3,(H,15,16).
What are the key properties of 2-bromo-5-[methyl(2-methylpropyl)sulfamoyl]benzoic acid?
2-bromo-5-[methyl(2-methylpropyl)sulfamoyl]benzoic acid has a molecular weight of 350.23 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[methyl(2-methylpropyl)sulfamoyl]benzoic acid is sourced from PubChem (CID 43271847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).