N-(3-bromophenyl)-3-(cyclopropylamino)propane-1-sulfonamide

C12H17BrN2O2S — CID 106061607

IUPACN-(3-bromophenyl)-3-(cyclopropylamino)propane-1-sulfonamide
SMILESO=S(=O)(CCCNC1CC1)Nc1cccc(Br)c1
InChIInChI=1S/C12H17BrN2O2S/c13-10-3-1-4-12(9-10)15-18(16,17)8-2-7-14-11-5-6-11/h1,3-4,9,11,14-15H,2,5-8H2
InChIKeyWEKUNYAPLOQLLP-UHFFFAOYSA-N
MW333.25 g/mol
LogP2.33
Rot. Bonds7

About N-(3-bromophenyl)-3-(cyclopropylamino)propane-1-sulfonamide

N-(3-bromophenyl)-3-(cyclopropylamino)propane-1-sulfonamide (PubChem CID 106061607) has the molecular formula C12H17BrN2O2S and a molecular weight of 333.25 g/mol. Its IUPAC name is N-(3-bromophenyl)-3-(cyclopropylamino)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-3-(cyclopropylamino)propane-1-sulfonamide
PubChem CID106061607
Molecular FormulaC12H17BrN2O2S
Molecular Weight333.25 g/mol
Exact Mass332.02
IUPAC NameN-(3-bromophenyl)-3-(cyclopropylamino)propane-1-sulfonamide
SMILESO=S(=O)(CCCNC1CC1)Nc1cccc(Br)c1
InChIInChI=1S/C12H17BrN2O2S/c13-10-3-1-4-12(9-10)15-18(16,17)8-2-7-14-11-5-6-11/h1,3-4,9,11,14-15H,2,5-8H2
InChIKeyWEKUNYAPLOQLLP-UHFFFAOYSA-N
XLogP2.33
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.25
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-bromo-5-methylphenyl)-3-(cyclopropylamino)propane-1-sulfonamide
CID 106089298
4-(cyclopropylamino)-N-(3,4-difluorophenyl)butane-1-sulfonamide
CID 106060068
N-(2-bromophenyl)-4-(cyclopropylamino)butane-1-sulfonamide
CID 106061301
N-(2-bromo-5-chlorophenyl)-3-(cyclopropylamino)propane-1-sulfonamide
CID 106073353
N-(2-bromo-4-methylphenyl)-3-(cyclopropylamino)propane-1-sulfonamide
CID 106043185
3-(cyclopropylamino)-N-(2,3-dichlorophenyl)propane-1-sulfonamide
CID 106030688
N-(3-bromophenyl)-3-methylbutane-1-sulfonamide
CID 63362334
N-(4-butylphenyl)-3-(cyclopropylamino)propane-1-sulfonamide
CID 106026055
3-(cyclopropylamino)-N-(2-ethylphenyl)propane-1-sulfonamide
CID 107591687
N-[1-(3-bromophenyl)ethyl]-2-(cyclopropylamino)ethanesulfonamide
CID 106002819
3-bromo-N-[(3-bromophenyl)sulfamoyl]aniline
CID 132513071
N-(3-bromophenyl)-2-phenoxyethanesulfonamide
CID 56764854

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-3-(cyclopropylamino)propane-1-sulfonamide?
The IUPAC name of N-(3-bromophenyl)-3-(cyclopropylamino)propane-1-sulfonamide (CID 106061607) is N-(3-bromophenyl)-3-(cyclopropylamino)propane-1-sulfonamide.
What is the SMILES notation for N-(3-bromophenyl)-3-(cyclopropylamino)propane-1-sulfonamide?
The canonical SMILES for N-(3-bromophenyl)-3-(cyclopropylamino)propane-1-sulfonamide is O=S(=O)(CCCNC1CC1)Nc1cccc(Br)c1.
What is the InChIKey of N-(3-bromophenyl)-3-(cyclopropylamino)propane-1-sulfonamide?
The InChIKey is WEKUNYAPLOQLLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O2S/c13-10-3-1-4-12(9-10)15-18(16,17)8-2-7-14-11-5-6-11/h1,3-4,9,11,14-15H,2,5-8H2.
What are the key properties of N-(3-bromophenyl)-3-(cyclopropylamino)propane-1-sulfonamide?
N-(3-bromophenyl)-3-(cyclopropylamino)propane-1-sulfonamide has a molecular weight of 333.25 g/mol, XLogP of 2.33, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-3-(cyclopropylamino)propane-1-sulfonamide is sourced from PubChem (CID 106061607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).