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

C11H17BrN2O2S — CID 107640767

IUPAC3-bromo-2-methyl-N-(2-methylpropylsulfamoyl)aniline
SMILESCc1c(Br)cccc1NS(=O)(=O)NCC(C)C
InChIInChI=1S/C11H17BrN2O2S/c1-8(2)7-13-17(15,16)14-11-6-4-5-10(12)9(11)3/h4-6,8,13-14H,7H2,1-3H3
InChIKeyCXOUWSLOLZZXRB-UHFFFAOYSA-N
MW321.24 g/mol
LogP2.66
Rot. Bonds5

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

3-bromo-2-methyl-N-(2-methylpropylsulfamoyl)aniline (PubChem CID 107640767) has the molecular formula C11H17BrN2O2S and a molecular weight of 321.24 g/mol. Its IUPAC name is 3-bromo-2-methyl-N-(2-methylpropylsulfamoyl)aniline.

Molecular Properties

Compound Name3-bromo-2-methyl-N-(2-methylpropylsulfamoyl)aniline
PubChem CID107640767
Molecular FormulaC11H17BrN2O2S
Molecular Weight321.24 g/mol
Exact Mass320.02
IUPAC Name3-bromo-2-methyl-N-(2-methylpropylsulfamoyl)aniline
SMILESCc1c(Br)cccc1NS(=O)(=O)NCC(C)C
InChIInChI=1S/C11H17BrN2O2S/c1-8(2)7-13-17(15,16)14-11-6-4-5-10(12)9(11)3/h4-6,8,13-14H,7H2,1-3H3
InChIKeyCXOUWSLOLZZXRB-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
4-bromo-3-methyl-N-(2-methylpropylsulfamoyl)aniline
CID 114815397
1-[2-(2-methylpropylsulfamoylamino)phenyl]ethanol
CID 114815631
[2-(2-methylpropylsulfamoylamino)phenyl]methanol
CID 114815630
ethyl N-[(3-bromo-2-methylphenyl)sulfamoyl]carbamate
CID 107640756
ethyl 2-[(3-bromo-2-methylphenyl)sulfamoyl]acetate
CID 107640763
N,3-dibromo-2-methylaniline
CID 155755469
2-(2-aminoethoxy)-N-(2-methylpropylsulfamoyl)aniline
CID 114813800
3-[2-(2-methylpropylsulfamoylamino)phenyl]prop-2-yn-1-ol
CID 114816371
3-N-(2-methylpropylsulfamoyl)benzene-1,3-diamine
CID 114814004
4-(aminomethyl)-2-bromo-N-(3-bromo-2-methylphenyl)benzenesulfonamide
CID 106088126
3-(2-methoxyethylsulfamoylamino)-2-methylbenzenesulfonamide
CID 114816608

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-methyl-N-(2-methylpropylsulfamoyl)aniline?
The IUPAC name of 3-bromo-2-methyl-N-(2-methylpropylsulfamoyl)aniline (CID 107640767) is 3-bromo-2-methyl-N-(2-methylpropylsulfamoyl)aniline.
What is the SMILES notation for 3-bromo-2-methyl-N-(2-methylpropylsulfamoyl)aniline?
The canonical SMILES for 3-bromo-2-methyl-N-(2-methylpropylsulfamoyl)aniline is Cc1c(Br)cccc1NS(=O)(=O)NCC(C)C.
What is the InChIKey of 3-bromo-2-methyl-N-(2-methylpropylsulfamoyl)aniline?
The InChIKey is CXOUWSLOLZZXRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2O2S/c1-8(2)7-13-17(15,16)14-11-6-4-5-10(12)9(11)3/h4-6,8,13-14H,7H2,1-3H3.
What are the key properties of 3-bromo-2-methyl-N-(2-methylpropylsulfamoyl)aniline?
3-bromo-2-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 3-bromo-2-methyl-N-(2-methylpropylsulfamoyl)aniline is sourced from PubChem (CID 107640767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).