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

C9H12BrClN2O2S — CID 114808923

IUPAC2-bromo-5-chloro-N-(propylsulfamoyl)aniline
SMILESCCCNS(=O)(=O)Nc1cc(Cl)ccc1Br
InChIInChI=1S/C9H12BrClN2O2S/c1-2-5-12-16(14,15)13-9-6-7(11)3-4-8(9)10/h3-4,6,12-13H,2,5H2,1H3
InChIKeyQFFNXTJCFUIESQ-UHFFFAOYSA-N
MW327.63 g/mol
LogP2.76
Rot. Bonds5

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

2-bromo-5-chloro-N-(propylsulfamoyl)aniline (PubChem CID 114808923) has the molecular formula C9H12BrClN2O2S and a molecular weight of 327.63 g/mol. Its IUPAC name is 2-bromo-5-chloro-N-(propylsulfamoyl)aniline.

Molecular Properties

Compound Name2-bromo-5-chloro-N-(propylsulfamoyl)aniline
PubChem CID114808923
Molecular FormulaC9H12BrClN2O2S
Molecular Weight327.63 g/mol
Exact Mass325.95
IUPAC Name2-bromo-5-chloro-N-(propylsulfamoyl)aniline
SMILESCCCNS(=O)(=O)Nc1cc(Cl)ccc1Br
InChIInChI=1S/C9H12BrClN2O2S/c1-2-5-12-16(14,15)13-9-6-7(11)3-4-8(9)10/h3-4,6,12-13H,2,5H2,1H3
InChIKeyQFFNXTJCFUIESQ-UHFFFAOYSA-N
XLogP2.76
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.63
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-5-methyl-N-(propylsulfamoyl)aniline
CID 114808956
2-bromo-5-methoxy-N-(propylsulfamoyl)aniline
CID 114808853
2-(3-aminoprop-1-ynyl)-5-chloro-N-(propylsulfamoyl)aniline
CID 114812221
4-chloro-N-(propylsulfamoyl)pyridin-2-amine
CID 114813663
4-bromo-5-fluoro-2-methyl-N-(propylsulfamoyl)aniline
CID 114808991
N-(2-bromo-5-chlorophenyl)-2-methylpropane-1-sulfonamide
CID 81273468
N-(2-bromo-5-chlorophenyl)-2-(ethylamino)benzenesulfonamide
CID 81256088
4-bromo-2-(propylsulfamoylamino)benzoic acid
CID 114805702
2-bromo-5-chloro-N-(3-methylsulfonylpropyl)aniline
CID 81281116
4-bromo-N-(2-bromo-5-chlorophenyl)-2-chlorobenzenesulfonamide
CID 81275585
N-(2-bromo-5-chlorophenyl)-2-phenylpropane-1-sulfonamide
CID 81260767
4-bromo-2-(propylsulfamoylamino)benzenecarbothioamide
CID 107799023

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-chloro-N-(propylsulfamoyl)aniline?
The IUPAC name of 2-bromo-5-chloro-N-(propylsulfamoyl)aniline (CID 114808923) is 2-bromo-5-chloro-N-(propylsulfamoyl)aniline.
What is the SMILES notation for 2-bromo-5-chloro-N-(propylsulfamoyl)aniline?
The canonical SMILES for 2-bromo-5-chloro-N-(propylsulfamoyl)aniline is CCCNS(=O)(=O)Nc1cc(Cl)ccc1Br.
What is the InChIKey of 2-bromo-5-chloro-N-(propylsulfamoyl)aniline?
The InChIKey is QFFNXTJCFUIESQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrClN2O2S/c1-2-5-12-16(14,15)13-9-6-7(11)3-4-8(9)10/h3-4,6,12-13H,2,5H2,1H3.
What are the key properties of 2-bromo-5-chloro-N-(propylsulfamoyl)aniline?
2-bromo-5-chloro-N-(propylsulfamoyl)aniline has a molecular weight of 327.63 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-chloro-N-(propylsulfamoyl)aniline is sourced from PubChem (CID 114808923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).