3-bromo-2-N-(ethylsulfamoyl)-5-methylbenzene-1,2-diamine

C9H14BrN3O2S — CID 114804993

IUPAC3-bromo-2-N-(ethylsulfamoyl)-5-methylbenzene-1,2-diamine
SMILESCCNS(=O)(=O)Nc1c(N)cc(C)cc1Br
InChIInChI=1S/C9H14BrN3O2S/c1-3-12-16(14,15)13-9-7(10)4-6(2)5-8(9)11/h4-5,12-13H,3,11H2,1-2H3
InChIKeyCQWWICRFTHTLRT-UHFFFAOYSA-N
MW308.20 g/mol
LogP1.61
Rot. Bonds4

About 3-bromo-2-N-(ethylsulfamoyl)-5-methylbenzene-1,2-diamine

3-bromo-2-N-(ethylsulfamoyl)-5-methylbenzene-1,2-diamine (PubChem CID 114804993) has the molecular formula C9H14BrN3O2S and a molecular weight of 308.20 g/mol. Its IUPAC name is 3-bromo-2-N-(ethylsulfamoyl)-5-methylbenzene-1,2-diamine.

Molecular Properties

Compound Name3-bromo-2-N-(ethylsulfamoyl)-5-methylbenzene-1,2-diamine
PubChem CID114804993
Molecular FormulaC9H14BrN3O2S
Molecular Weight308.20 g/mol
Exact Mass307.00
IUPAC Name3-bromo-2-N-(ethylsulfamoyl)-5-methylbenzene-1,2-diamine
SMILESCCNS(=O)(=O)Nc1c(N)cc(C)cc1Br
InChIInChI=1S/C9H14BrN3O2S/c1-3-12-16(14,15)13-9-7(10)4-6(2)5-8(9)11/h4-5,12-13H,3,11H2,1-2H3
InChIKeyCQWWICRFTHTLRT-UHFFFAOYSA-N
XLogP1.61
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.20
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

ethyl N-[(2-amino-6-bromo-4-methylphenyl)sulfamoyl]carbamate
CID 114461807
4-bromo-3-N-(ethylsulfamoyl)-6-methylbenzene-1,3-diamine
CID 114804982
3,5-dichloro-4-(ethylsulfamoylamino)benzenesulfonamide
CID 114812536
N-(2-amino-6-bromo-4-methylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 116813776
N-(2,6-dibromo-4-methylphenyl)propane-1-sulfonamide
CID 60640320
N-(2-amino-6-bromo-4-methylphenyl)-2,5-dichlorothiophene-3-sulfonamide
CID 116813707
N-(2-amino-6-bromo-4-methylphenyl)-4-methylpiperidine-1-sulfonamide
CID 116813743
N-(2-amino-6-bromo-4-methylphenyl)-1-(oxolan-2-yl)methanesulfonamide
CID 116813798
5-bromo-N-(ethylsulfamoyl)-4-methylpyridin-2-amine
CID 114808883
5-bromo-3-methyl-2-N-(2,2,2-trifluoroethylsulfamoyl)benzene-1,2-diamine
CID 114804603
N-(2-amino-6-bromo-4-methylphenyl)-2-methylsulfanylacetamide
CID 116813465
N-(2-amino-4,6-dibromophenyl)methanesulfonamide
CID 43550705

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-N-(ethylsulfamoyl)-5-methylbenzene-1,2-diamine?
The IUPAC name of 3-bromo-2-N-(ethylsulfamoyl)-5-methylbenzene-1,2-diamine (CID 114804993) is 3-bromo-2-N-(ethylsulfamoyl)-5-methylbenzene-1,2-diamine.
What is the SMILES notation for 3-bromo-2-N-(ethylsulfamoyl)-5-methylbenzene-1,2-diamine?
The canonical SMILES for 3-bromo-2-N-(ethylsulfamoyl)-5-methylbenzene-1,2-diamine is CCNS(=O)(=O)Nc1c(N)cc(C)cc1Br.
What is the InChIKey of 3-bromo-2-N-(ethylsulfamoyl)-5-methylbenzene-1,2-diamine?
The InChIKey is CQWWICRFTHTLRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrN3O2S/c1-3-12-16(14,15)13-9-7(10)4-6(2)5-8(9)11/h4-5,12-13H,3,11H2,1-2H3.
What are the key properties of 3-bromo-2-N-(ethylsulfamoyl)-5-methylbenzene-1,2-diamine?
3-bromo-2-N-(ethylsulfamoyl)-5-methylbenzene-1,2-diamine has a molecular weight of 308.20 g/mol, XLogP of 1.61, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-N-(ethylsulfamoyl)-5-methylbenzene-1,2-diamine is sourced from PubChem (CID 114804993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).