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

C11H17BrN2O2S — CID 114815397

IUPAC4-bromo-3-methyl-N-(2-methylpropylsulfamoyl)aniline
SMILESCc1cc(NS(=O)(=O)NCC(C)C)ccc1Br
InChIInChI=1S/C11H17BrN2O2S/c1-8(2)7-13-17(15,16)14-10-4-5-11(12)9(3)6-10/h4-6,8,13-14H,7H2,1-3H3
InChIKeyICKXFDGNQWFLME-UHFFFAOYSA-N
MW321.24 g/mol
LogP2.66
Rot. Bonds5

About 4-bromo-3-methyl-N-(2-methylpropylsulfamoyl)aniline

4-bromo-3-methyl-N-(2-methylpropylsulfamoyl)aniline (PubChem CID 114815397) has the molecular formula C11H17BrN2O2S and a molecular weight of 321.24 g/mol. Its IUPAC name is 4-bromo-3-methyl-N-(2-methylpropylsulfamoyl)aniline.

Molecular Properties

Compound Name4-bromo-3-methyl-N-(2-methylpropylsulfamoyl)aniline
PubChem CID114815397
Molecular FormulaC11H17BrN2O2S
Molecular Weight321.24 g/mol
Exact Mass320.02
IUPAC Name4-bromo-3-methyl-N-(2-methylpropylsulfamoyl)aniline
SMILESCc1cc(NS(=O)(=O)NCC(C)C)ccc1Br
InChIInChI=1S/C11H17BrN2O2S/c1-8(2)7-13-17(15,16)14-10-4-5-11(12)9(3)6-10/h4-6,8,13-14H,7H2,1-3H3
InChIKeyICKXFDGNQWFLME-UHFFFAOYSA-N
XLogP2.66
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.24
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-(2-methylpropylsulfamoyl)aniline
CID 114815403
3-bromo-2-methyl-N-(2-methylpropylsulfamoyl)aniline
CID 107640767
3-[2-methyl-5-(2-methylpropylsulfamoylamino)phenyl]prop-2-yn-1-ol
CID 114816451
3-N-(2-methylpropylsulfamoyl)benzene-1,3-diamine
CID 114814004
N-(4-bromo-3-methylphenyl)-2-chloroethanesulfonamide
CID 103609332
3-amino-4-bromo-N-(4-bromo-3-methylphenyl)benzenesulfonamide
CID 115328671
N-(4-bromo-3-methylphenyl)-2,4,6-trimethylbenzenesulfonamide
CID 1087335
N-(4-bromo-3-methylphenyl)-3-hydroxypropane-1-sulfonamide
CID 94717956
N-(2-methylpropylsulfamoyl)-2,3-dihydro-1H-indol-5-amine
CID 114815982
N-(4-bromo-3-methylphenyl)-3-(methylamino)propane-1-sulfonamide
CID 106058558
4-(1-amino-2-methylpropan-2-yl)-N-(2-methylpropylsulfamoyl)aniline
CID 114813837
N-(2-methylpropylsulfamoyl)-3-[1-(propylamino)ethyl]aniline
CID 114814956

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-methyl-N-(2-methylpropylsulfamoyl)aniline?
The IUPAC name of 4-bromo-3-methyl-N-(2-methylpropylsulfamoyl)aniline (CID 114815397) is 4-bromo-3-methyl-N-(2-methylpropylsulfamoyl)aniline.
What is the SMILES notation for 4-bromo-3-methyl-N-(2-methylpropylsulfamoyl)aniline?
The canonical SMILES for 4-bromo-3-methyl-N-(2-methylpropylsulfamoyl)aniline is Cc1cc(NS(=O)(=O)NCC(C)C)ccc1Br.
What is the InChIKey of 4-bromo-3-methyl-N-(2-methylpropylsulfamoyl)aniline?
The InChIKey is ICKXFDGNQWFLME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2O2S/c1-8(2)7-13-17(15,16)14-10-4-5-11(12)9(3)6-10/h4-6,8,13-14H,7H2,1-3H3.
What are the key properties of 4-bromo-3-methyl-N-(2-methylpropylsulfamoyl)aniline?
4-bromo-3-methyl-N-(2-methylpropylsulfamoyl)aniline has a molecular weight of 321.24 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-methyl-N-(2-methylpropylsulfamoyl)aniline is sourced from PubChem (CID 114815397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).