5-bromo-3-methyl-2-N-(propan-2-ylsulfamoyl)benzene-1,2-diamine

C10H16BrN3O2S — CID 114804604

IUPAC5-bromo-3-methyl-2-N-(propan-2-ylsulfamoyl)benzene-1,2-diamine
SMILESCc1cc(Br)cc(N)c1NS(=O)(=O)NC(C)C
InChIInChI=1S/C10H16BrN3O2S/c1-6(2)13-17(15,16)14-10-7(3)4-8(11)5-9(10)12/h4-6,13-14H,12H2,1-3H3
InChIKeyYHYGVYFVCHCALO-UHFFFAOYSA-N
MW322.23 g/mol
LogP1.99
Rot. Bonds4

About 5-bromo-3-methyl-2-N-(propan-2-ylsulfamoyl)benzene-1,2-diamine

5-bromo-3-methyl-2-N-(propan-2-ylsulfamoyl)benzene-1,2-diamine (PubChem CID 114804604) has the molecular formula C10H16BrN3O2S and a molecular weight of 322.23 g/mol. Its IUPAC name is 5-bromo-3-methyl-2-N-(propan-2-ylsulfamoyl)benzene-1,2-diamine.

Molecular Properties

Compound Name5-bromo-3-methyl-2-N-(propan-2-ylsulfamoyl)benzene-1,2-diamine
PubChem CID114804604
Molecular FormulaC10H16BrN3O2S
Molecular Weight322.23 g/mol
Exact Mass321.01
IUPAC Name5-bromo-3-methyl-2-N-(propan-2-ylsulfamoyl)benzene-1,2-diamine
SMILESCc1cc(Br)cc(N)c1NS(=O)(=O)NC(C)C
InChIInChI=1S/C10H16BrN3O2S/c1-6(2)13-17(15,16)14-10-7(3)4-8(11)5-9(10)12/h4-6,13-14H,12H2,1-3H3
InChIKeyYHYGVYFVCHCALO-UHFFFAOYSA-N
XLogP1.99
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.23
LogP ≤ 51.99
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

3-methyl-2-N-(propan-2-ylsulfamoyl)benzene-1,2-diamine
CID 114804309
5-bromo-3-methyl-2-N-(2,2,2-trifluoroethylsulfamoyl)benzene-1,2-diamine
CID 114804603
N-(2-amino-4-bromo-6-methylphenyl)-4-cyanobenzenesulfonamide
CID 43551010
ethyl 2-[(2-amino-4-bromo-6-methylphenyl)sulfamoyl]acetate
CID 61456633
N-(2-amino-4-bromo-6-methylphenyl)-3-methylpiperidine-1-sulfonamide
CID 43551014
N-(2-amino-4-bromo-6-methylphenyl)-2,4-difluorobenzenesulfonamide
CID 43550996
N-(2-amino-4-bromo-6-methylphenyl)-2,5-difluorobenzenesulfonamide
CID 43550987
N-(2-amino-4-bromo-6-methylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 43551023
N-(2-amino-4-bromo-6-methylphenyl)-5-ethylthiophene-2-sulfonamide
CID 61454204
N-(2-amino-4-bromo-6-methylphenyl)-4-methylpentanamide
CID 43549958
2-methyl-1-N-(propan-2-ylsulfamoyl)benzene-1,4-diamine
CID 114804165
4-methyl-1-N-(propan-2-ylsulfamoyl)benzene-1,2-diamine
CID 114804316

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-methyl-2-N-(propan-2-ylsulfamoyl)benzene-1,2-diamine?
The IUPAC name of 5-bromo-3-methyl-2-N-(propan-2-ylsulfamoyl)benzene-1,2-diamine (CID 114804604) is 5-bromo-3-methyl-2-N-(propan-2-ylsulfamoyl)benzene-1,2-diamine.
What is the SMILES notation for 5-bromo-3-methyl-2-N-(propan-2-ylsulfamoyl)benzene-1,2-diamine?
The canonical SMILES for 5-bromo-3-methyl-2-N-(propan-2-ylsulfamoyl)benzene-1,2-diamine is Cc1cc(Br)cc(N)c1NS(=O)(=O)NC(C)C.
What is the InChIKey of 5-bromo-3-methyl-2-N-(propan-2-ylsulfamoyl)benzene-1,2-diamine?
The InChIKey is YHYGVYFVCHCALO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3O2S/c1-6(2)13-17(15,16)14-10-7(3)4-8(11)5-9(10)12/h4-6,13-14H,12H2,1-3H3.
What are the key properties of 5-bromo-3-methyl-2-N-(propan-2-ylsulfamoyl)benzene-1,2-diamine?
5-bromo-3-methyl-2-N-(propan-2-ylsulfamoyl)benzene-1,2-diamine has a molecular weight of 322.23 g/mol, XLogP of 1.99, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-methyl-2-N-(propan-2-ylsulfamoyl)benzene-1,2-diamine is sourced from PubChem (CID 114804604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).