N-(4-bromophenyl)-2-(ethylaminomethyl)benzenesulfonamide

C15H17BrN2O2S — CID 106061384

IUPACN-(4-bromophenyl)-2-(ethylaminomethyl)benzenesulfonamide
SMILESCCNCc1ccccc1S(=O)(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C15H17BrN2O2S/c1-2-17-11-12-5-3-4-6-15(12)21(19,20)18-14-9-7-13(16)8-10-14/h3-10,17-18H,2,11H2,1H3
InChIKeyCBQSJIMLHMLQSP-UHFFFAOYSA-N
MW369.28 g/mol
LogP3.36
Rot. Bonds6

About N-(4-bromophenyl)-2-(ethylaminomethyl)benzenesulfonamide

N-(4-bromophenyl)-2-(ethylaminomethyl)benzenesulfonamide (PubChem CID 106061384) has the molecular formula C15H17BrN2O2S and a molecular weight of 369.28 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-(ethylaminomethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-(ethylaminomethyl)benzenesulfonamide
PubChem CID106061384
Molecular FormulaC15H17BrN2O2S
Molecular Weight369.28 g/mol
Exact Mass368.02
IUPAC NameN-(4-bromophenyl)-2-(ethylaminomethyl)benzenesulfonamide
SMILESCCNCc1ccccc1S(=O)(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C15H17BrN2O2S/c1-2-17-11-12-5-3-4-6-15(12)21(19,20)18-14-9-7-13(16)8-10-14/h3-10,17-18H,2,11H2,1H3
InChIKeyCBQSJIMLHMLQSP-UHFFFAOYSA-N
XLogP3.36
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.28
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromophenyl)-5-(ethylaminomethyl)thiophene-2-sulfonamide
CID 106061370
N-(4-bromophenyl)-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 106061353
2-(ethylaminomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 106089754
3-[(4-bromophenyl)sulfamoyl]-2-methylbenzoic acid
CID 63743640
2-(ethylaminomethyl)-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 106053747
2-(4-bromoanilino)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]acetamide
CID 29449798
N-(2-ethoxyethyl)-2-(ethylaminomethyl)benzenesulfonamide
CID 106019677
2-(ethylaminomethyl)-N-(4-methylhexan-2-yl)benzenesulfonamide
CID 106066744
2-(ethylaminomethyl)-N-(thian-4-yl)benzenesulfonamide
CID 106084383
N-(4-bromo-3-chlorophenyl)-2-(hydroxymethyl)benzenesulfonamide
CID 106000455
4-bromo-N-[4-(propylamino)phenyl]benzenesulfonamide
CID 112979761
2-(aminomethyl)-N-(4-chlorophenyl)benzenesulfonamide
CID 106060822

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-(ethylaminomethyl)benzenesulfonamide?
The IUPAC name of N-(4-bromophenyl)-2-(ethylaminomethyl)benzenesulfonamide (CID 106061384) is N-(4-bromophenyl)-2-(ethylaminomethyl)benzenesulfonamide.
What is the SMILES notation for N-(4-bromophenyl)-2-(ethylaminomethyl)benzenesulfonamide?
The canonical SMILES for N-(4-bromophenyl)-2-(ethylaminomethyl)benzenesulfonamide is CCNCc1ccccc1S(=O)(=O)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-(ethylaminomethyl)benzenesulfonamide?
The InChIKey is CBQSJIMLHMLQSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2S/c1-2-17-11-12-5-3-4-6-15(12)21(19,20)18-14-9-7-13(16)8-10-14/h3-10,17-18H,2,11H2,1H3.
What are the key properties of N-(4-bromophenyl)-2-(ethylaminomethyl)benzenesulfonamide?
N-(4-bromophenyl)-2-(ethylaminomethyl)benzenesulfonamide has a molecular weight of 369.28 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-(ethylaminomethyl)benzenesulfonamide is sourced from PubChem (CID 106061384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).