2-bromo-5-methoxy-N-(propylsulfamoyl)aniline

C10H15BrN2O3S — CID 114808853

IUPAC2-bromo-5-methoxy-N-(propylsulfamoyl)aniline
SMILESCCCNS(=O)(=O)Nc1cc(OC)ccc1Br
InChIInChI=1S/C10H15BrN2O3S/c1-3-6-12-17(14,15)13-10-7-8(16-2)4-5-9(10)11/h4-5,7,12-13H,3,6H2,1-2H3
InChIKeyPIEFSCFVKXFHFQ-UHFFFAOYSA-N
MW323.21 g/mol
LogP2.11
Rot. Bonds6

About 2-bromo-5-methoxy-N-(propylsulfamoyl)aniline

2-bromo-5-methoxy-N-(propylsulfamoyl)aniline (PubChem CID 114808853) has the molecular formula C10H15BrN2O3S and a molecular weight of 323.21 g/mol. Its IUPAC name is 2-bromo-5-methoxy-N-(propylsulfamoyl)aniline.

Molecular Properties

Compound Name2-bromo-5-methoxy-N-(propylsulfamoyl)aniline
PubChem CID114808853
Molecular FormulaC10H15BrN2O3S
Molecular Weight323.21 g/mol
Exact Mass322.00
IUPAC Name2-bromo-5-methoxy-N-(propylsulfamoyl)aniline
SMILESCCCNS(=O)(=O)Nc1cc(OC)ccc1Br
InChIInChI=1S/C10H15BrN2O3S/c1-3-6-12-17(14,15)13-10-7-8(16-2)4-5-9(10)11/h4-5,7,12-13H,3,6H2,1-2H3
InChIKeyPIEFSCFVKXFHFQ-UHFFFAOYSA-N
XLogP2.11
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.21
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl N-[(2-bromo-5-methoxyphenyl)sulfamoyl]carbamate
CID 114463849
4-bromo-5-fluoro-2-methyl-N-(propylsulfamoyl)aniline
CID 114808991
N'-[(2,4-dimethoxyphenyl)sulfamoyl]ethane-1,2-diamine
CID 84760955
N-(2-bromo-4-methoxyphenyl)ethanesulfonamide
CID 171393230
N-(2-bromo-5-methoxyphenyl)-1-(propan-2-ylamino)propane-2-sulfonamide
CID 106067184
N-[(4-methoxyphenyl)methylsulfamoyl]propan-1-amine
CID 110410258
N-(2-bromo-5-methoxyphenyl)azepane-1-sulfonamide
CID 63997402
N-(2-bromo-5-methoxyphenyl)pentanamide
CID 62416800
4-(4-methoxyphenyl)-N-(propylsulfamoyl)butan-1-amine
CID 110628005
N-(2-bromo-5-methoxyphenyl)-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 106067208
4-methoxy-2-N-methyl-1-N-propylbenzene-1,2-diamine
CID 134239209
3,4,5-trimethoxy-N-(propylsulfamoyl)aniline
CID 110426852

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-methoxy-N-(propylsulfamoyl)aniline?
The IUPAC name of 2-bromo-5-methoxy-N-(propylsulfamoyl)aniline (CID 114808853) is 2-bromo-5-methoxy-N-(propylsulfamoyl)aniline.
What is the SMILES notation for 2-bromo-5-methoxy-N-(propylsulfamoyl)aniline?
The canonical SMILES for 2-bromo-5-methoxy-N-(propylsulfamoyl)aniline is CCCNS(=O)(=O)Nc1cc(OC)ccc1Br.
What is the InChIKey of 2-bromo-5-methoxy-N-(propylsulfamoyl)aniline?
The InChIKey is PIEFSCFVKXFHFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O3S/c1-3-6-12-17(14,15)13-10-7-8(16-2)4-5-9(10)11/h4-5,7,12-13H,3,6H2,1-2H3.
What are the key properties of 2-bromo-5-methoxy-N-(propylsulfamoyl)aniline?
2-bromo-5-methoxy-N-(propylsulfamoyl)aniline has a molecular weight of 323.21 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-methoxy-N-(propylsulfamoyl)aniline is sourced from PubChem (CID 114808853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).