4-(4-bromophenyl)-N-(propylsulfamoyl)butan-2-amine

C13H21BrN2O2S — CID 110628535

IUPAC4-(4-bromophenyl)-N-(propylsulfamoyl)butan-2-amine
SMILESCCCNS(=O)(=O)NC(C)CCc1ccc(Br)cc1
InChIInChI=1S/C13H21BrN2O2S/c1-3-10-15-19(17,18)16-11(2)4-5-12-6-8-13(14)9-7-12/h6-9,11,15-16H,3-5,10H2,1-2H3
InChIKeyQLFLBPQGHADPNM-UHFFFAOYSA-N
MW349.29 g/mol
LogP2.60
Rot. Bonds8

About 4-(4-bromophenyl)-N-(propylsulfamoyl)butan-2-amine

4-(4-bromophenyl)-N-(propylsulfamoyl)butan-2-amine (PubChem CID 110628535) has the molecular formula C13H21BrN2O2S and a molecular weight of 349.29 g/mol. Its IUPAC name is 4-(4-bromophenyl)-N-(propylsulfamoyl)butan-2-amine.

Molecular Properties

Compound Name4-(4-bromophenyl)-N-(propylsulfamoyl)butan-2-amine
PubChem CID110628535
Molecular FormulaC13H21BrN2O2S
Molecular Weight349.29 g/mol
Exact Mass348.05
IUPAC Name4-(4-bromophenyl)-N-(propylsulfamoyl)butan-2-amine
SMILESCCCNS(=O)(=O)NC(C)CCc1ccc(Br)cc1
InChIInChI=1S/C13H21BrN2O2S/c1-3-10-15-19(17,18)16-11(2)4-5-12-6-8-13(14)9-7-12/h6-9,11,15-16H,3-5,10H2,1-2H3
InChIKeyQLFLBPQGHADPNM-UHFFFAOYSA-N
XLogP2.60
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.29
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(4-bromophenyl)butan-2-yl]-2-(2-methoxyethoxy)ethanesulfonamide
CID 110628539
4-bromo-N-hexan-2-ylbenzenesulfonamide
CID 55050164
1-bromo-4-(3-methylpentyl)benzene
CID 156726956
N-[(1R)-1-(4-bromophenyl)ethyl]-3-[4-(propylsulfamoyl)phenyl]propanamide
CID 28557137
N-[(2S)-1-(4-bromophenyl)propan-2-yl]methanesulfonamide
CID 94145530
N-[(4-bromophenyl)methyl]-4-phenylbutan-2-amine
CID 17211073
4-ethyl-N-(4-phenylbutan-2-yl)benzenesulfonamide
CID 3870865
4-ethyl-N-[(2S)-4-phenylbutan-2-yl]benzenesulfonamide
CID 7765610
N-[1-(4-bromophenyl)ethyl]-2-(propylamino)ethanesulfonamide
CID 106049594
2-[(4-bromophenyl)sulfonylamino]-N-propylpropanamide
CID 4312518
3-(4-bromophenyl)-2-methyl-N-propylpropan-1-amine
CID 62531086
1-bromo-4-[(2R)-4-(4-bromophenyl)butan-2-yl]benzene
CID 153339834

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-N-(propylsulfamoyl)butan-2-amine?
The IUPAC name of 4-(4-bromophenyl)-N-(propylsulfamoyl)butan-2-amine (CID 110628535) is 4-(4-bromophenyl)-N-(propylsulfamoyl)butan-2-amine.
What is the SMILES notation for 4-(4-bromophenyl)-N-(propylsulfamoyl)butan-2-amine?
The canonical SMILES for 4-(4-bromophenyl)-N-(propylsulfamoyl)butan-2-amine is CCCNS(=O)(=O)NC(C)CCc1ccc(Br)cc1.
What is the InChIKey of 4-(4-bromophenyl)-N-(propylsulfamoyl)butan-2-amine?
The InChIKey is QLFLBPQGHADPNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN2O2S/c1-3-10-15-19(17,18)16-11(2)4-5-12-6-8-13(14)9-7-12/h6-9,11,15-16H,3-5,10H2,1-2H3.
What are the key properties of 4-(4-bromophenyl)-N-(propylsulfamoyl)butan-2-amine?
4-(4-bromophenyl)-N-(propylsulfamoyl)butan-2-amine has a molecular weight of 349.29 g/mol, XLogP of 2.60, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-N-(propylsulfamoyl)butan-2-amine is sourced from PubChem (CID 110628535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).