3-bromo-5-methyl-N-(propylsulfamoyl)aniline

C10H15BrN2O2S — CID 110614185

IUPAC3-bromo-5-methyl-N-(propylsulfamoyl)aniline
SMILESCCCNS(=O)(=O)Nc1cc(C)cc(Br)c1
InChIInChI=1S/C10H15BrN2O2S/c1-3-4-12-16(14,15)13-10-6-8(2)5-9(11)7-10/h5-7,12-13H,3-4H2,1-2H3
InChIKeyLDAMYNCTYMRBSY-UHFFFAOYSA-N
MW307.21 g/mol
LogP2.41
Rot. Bonds5

About 3-bromo-5-methyl-N-(propylsulfamoyl)aniline

3-bromo-5-methyl-N-(propylsulfamoyl)aniline (PubChem CID 110614185) has the molecular formula C10H15BrN2O2S and a molecular weight of 307.21 g/mol. Its IUPAC name is 3-bromo-5-methyl-N-(propylsulfamoyl)aniline.

Molecular Properties

Compound Name3-bromo-5-methyl-N-(propylsulfamoyl)aniline
PubChem CID110614185
Molecular FormulaC10H15BrN2O2S
Molecular Weight307.21 g/mol
Exact Mass306.00
IUPAC Name3-bromo-5-methyl-N-(propylsulfamoyl)aniline
SMILESCCCNS(=O)(=O)Nc1cc(C)cc(Br)c1
InChIInChI=1S/C10H15BrN2O2S/c1-3-4-12-16(14,15)13-10-6-8(2)5-9(11)7-10/h5-7,12-13H,3-4H2,1-2H3
InChIKeyLDAMYNCTYMRBSY-UHFFFAOYSA-N
XLogP2.41
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.21
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-5-methyl-N-(propylsulfamoyl)aniline
CID 114808956
2-amino-N-(3-bromo-5-methylphenyl)ethanesulfonamide
CID 107582977
4-methyl-1-N-(propylsulfamoyl)benzene-1,3-diamine
CID 114804266
3,4,5-trimethoxy-N-(propylsulfamoyl)aniline
CID 110426852
5-fluoro-3-N-(propylsulfamoyl)benzene-1,3-diamine
CID 107334287
3-bromo-N-(cyclopentylsulfamoyl)-5-methylaniline
CID 110614187
3-bromo-5-(ethylsulfamoylamino)benzoic acid
CID 114806789
4-bromo-5-fluoro-2-methyl-N-(propylsulfamoyl)aniline
CID 114808991
1-amino-N-(3-bromo-5-methylphenyl)propane-2-sulfonamide
CID 106089270
4-(propylsulfamoylamino)benzenesulfonamide
CID 114812408
N-(3-bromo-5-methylphenyl)-4-ethoxybenzenesulfonamide
CID 110604794
N-(3-bromo-5-methylphenyl)-3-(cyclopropylamino)propane-1-sulfonamide
CID 106089298

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-methyl-N-(propylsulfamoyl)aniline?
The IUPAC name of 3-bromo-5-methyl-N-(propylsulfamoyl)aniline (CID 110614185) is 3-bromo-5-methyl-N-(propylsulfamoyl)aniline.
What is the SMILES notation for 3-bromo-5-methyl-N-(propylsulfamoyl)aniline?
The canonical SMILES for 3-bromo-5-methyl-N-(propylsulfamoyl)aniline is CCCNS(=O)(=O)Nc1cc(C)cc(Br)c1.
What is the InChIKey of 3-bromo-5-methyl-N-(propylsulfamoyl)aniline?
The InChIKey is LDAMYNCTYMRBSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O2S/c1-3-4-12-16(14,15)13-10-6-8(2)5-9(11)7-10/h5-7,12-13H,3-4H2,1-2H3.
What are the key properties of 3-bromo-5-methyl-N-(propylsulfamoyl)aniline?
3-bromo-5-methyl-N-(propylsulfamoyl)aniline has a molecular weight of 307.21 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-methyl-N-(propylsulfamoyl)aniline is sourced from PubChem (CID 110614185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).