3-bromo-N-(2-methylpropylsulfamoyl)aniline

C10H15BrN2O2S — CID 114815403

IUPAC3-bromo-N-(2-methylpropylsulfamoyl)aniline
SMILESCC(C)CNS(=O)(=O)Nc1cccc(Br)c1
InChIInChI=1S/C10H15BrN2O2S/c1-8(2)7-12-16(14,15)13-10-5-3-4-9(11)6-10/h3-6,8,12-13H,7H2,1-2H3
InChIKeyQHONMIHFKFENPH-UHFFFAOYSA-N
MW307.21 g/mol
LogP2.35
Rot. Bonds5

About 3-bromo-N-(2-methylpropylsulfamoyl)aniline

3-bromo-N-(2-methylpropylsulfamoyl)aniline (PubChem CID 114815403) has the molecular formula C10H15BrN2O2S and a molecular weight of 307.21 g/mol. Its IUPAC name is 3-bromo-N-(2-methylpropylsulfamoyl)aniline.

Molecular Properties

Compound Name3-bromo-N-(2-methylpropylsulfamoyl)aniline
PubChem CID114815403
Molecular FormulaC10H15BrN2O2S
Molecular Weight307.21 g/mol
Exact Mass306.00
IUPAC Name3-bromo-N-(2-methylpropylsulfamoyl)aniline
SMILESCC(C)CNS(=O)(=O)Nc1cccc(Br)c1
InChIInChI=1S/C10H15BrN2O2S/c1-8(2)7-12-16(14,15)13-10-5-3-4-9(11)6-10/h3-6,8,12-13H,7H2,1-2H3
InChIKeyQHONMIHFKFENPH-UHFFFAOYSA-N
XLogP2.35
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.21
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-N-(2-methylpropylsulfamoyl)benzene-1,3-diamine
CID 114814004
3-bromo-N-[(3-bromophenyl)sulfamoyl]aniline
CID 132513071
3-[1-(methylamino)ethyl]-N-(2-methylpropylsulfamoyl)aniline
CID 114814952
N-(3-bromophenyl)-3-methylbutane-1-sulfonamide
CID 63362334
4-bromo-3-methyl-N-(2-methylpropylsulfamoyl)aniline
CID 114815397
4-[3-(2-methylpropylsulfamoylamino)phenyl]but-3-yn-1-ol
CID 114816397
3-bromo-N-(tert-butylsulfamoyl)aniline
CID 104516899
N-(2-methylpropylsulfamoyl)-3-[1-(propylamino)ethyl]aniline
CID 114814956
3-bromo-2-methyl-N-(2-methylpropylsulfamoyl)aniline
CID 107640767
4-bromo-N-(2-methylpropylsulfamoyl)pyridin-2-amine
CID 102820721
N-[(3-bromophenyl)methylsulfamoyl]aniline
CID 166696368
1-bromo-3-(sulfamoylamino)benzene
CID 24707479

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-methylpropylsulfamoyl)aniline?
The IUPAC name of 3-bromo-N-(2-methylpropylsulfamoyl)aniline (CID 114815403) is 3-bromo-N-(2-methylpropylsulfamoyl)aniline.
What is the SMILES notation for 3-bromo-N-(2-methylpropylsulfamoyl)aniline?
The canonical SMILES for 3-bromo-N-(2-methylpropylsulfamoyl)aniline is CC(C)CNS(=O)(=O)Nc1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-(2-methylpropylsulfamoyl)aniline?
The InChIKey is QHONMIHFKFENPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O2S/c1-8(2)7-12-16(14,15)13-10-5-3-4-9(11)6-10/h3-6,8,12-13H,7H2,1-2H3.
What are the key properties of 3-bromo-N-(2-methylpropylsulfamoyl)aniline?
3-bromo-N-(2-methylpropylsulfamoyl)aniline has a molecular weight of 307.21 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2-methylpropylsulfamoyl)aniline is sourced from PubChem (CID 114815403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).