4-bromo-1-(dimethylsulfamoylamino)-2-methylbenzene

C9H13BrN2O2S — CID 885216

IUPAC4-bromo-1-(dimethylsulfamoylamino)-2-methylbenzene
SMILESCc1cc(Br)ccc1NS(=O)(=O)N(C)C
InChIInChI=1S/C9H13BrN2O2S/c1-7-6-8(10)4-5-9(7)11-15(13,14)12(2)3/h4-6,11H,1-3H3
InChIKeyJMJQBPGJAJJNOO-UHFFFAOYSA-N
MW293.19 g/mol
LogP1.98
Rot. Bonds3

About 4-bromo-1-(dimethylsulfamoylamino)-2-methylbenzene

4-bromo-1-(dimethylsulfamoylamino)-2-methylbenzene (PubChem CID 885216) has the molecular formula C9H13BrN2O2S and a molecular weight of 293.19 g/mol. Its IUPAC name is 4-bromo-1-(dimethylsulfamoylamino)-2-methylbenzene.

Molecular Properties

Compound Name4-bromo-1-(dimethylsulfamoylamino)-2-methylbenzene
PubChem CID885216
Molecular FormulaC9H13BrN2O2S
Molecular Weight293.19 g/mol
Exact Mass291.99
IUPAC Name4-bromo-1-(dimethylsulfamoylamino)-2-methylbenzene
SMILESCc1cc(Br)ccc1NS(=O)(=O)N(C)C
InChIInChI=1S/C9H13BrN2O2S/c1-7-6-8(10)4-5-9(7)11-15(13,14)12(2)3/h4-6,11H,1-3H3
InChIKeyJMJQBPGJAJJNOO-UHFFFAOYSA-N
XLogP1.98
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.19
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(dimethylsulfamoylamino)-2-methylbenzene?
The IUPAC name of 4-bromo-1-(dimethylsulfamoylamino)-2-methylbenzene (CID 885216) is 4-bromo-1-(dimethylsulfamoylamino)-2-methylbenzene.
What is the SMILES notation for 4-bromo-1-(dimethylsulfamoylamino)-2-methylbenzene?
The canonical SMILES for 4-bromo-1-(dimethylsulfamoylamino)-2-methylbenzene is Cc1cc(Br)ccc1NS(=O)(=O)N(C)C.
What is the InChIKey of 4-bromo-1-(dimethylsulfamoylamino)-2-methylbenzene?
The InChIKey is JMJQBPGJAJJNOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2O2S/c1-7-6-8(10)4-5-9(7)11-15(13,14)12(2)3/h4-6,11H,1-3H3.
What are the key properties of 4-bromo-1-(dimethylsulfamoylamino)-2-methylbenzene?
4-bromo-1-(dimethylsulfamoylamino)-2-methylbenzene has a molecular weight of 293.19 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(dimethylsulfamoylamino)-2-methylbenzene is sourced from PubChem (CID 885216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).