N-(2-aminoethyl)-2-bromo-5-chlorobenzenesulfonamide

C8H10BrClN2O2S — CID 120706161

IUPACN-(2-aminoethyl)-2-bromo-5-chlorobenzenesulfonamide
SMILESNCCNS(=O)(=O)c1cc(Cl)ccc1Br
InChIInChI=1S/C8H10BrClN2O2S/c9-7-2-1-6(10)5-8(7)15(13,14)12-4-3-11/h1-2,5,12H,3-4,11H2
InChIKeyNNUVLLQEZVNWLM-UHFFFAOYSA-N
MW313.60 g/mol
LogP1.34
Rot. Bonds4

About N-(2-aminoethyl)-2-bromo-5-chlorobenzenesulfonamide

N-(2-aminoethyl)-2-bromo-5-chlorobenzenesulfonamide (PubChem CID 120706161) has the molecular formula C8H10BrClN2O2S and a molecular weight of 313.60 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-bromo-5-chlorobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-bromo-5-chlorobenzenesulfonamide
PubChem CID120706161
Molecular FormulaC8H10BrClN2O2S
Molecular Weight313.60 g/mol
Exact Mass311.93
IUPAC NameN-(2-aminoethyl)-2-bromo-5-chlorobenzenesulfonamide
SMILESNCCNS(=O)(=O)c1cc(Cl)ccc1Br
InChIInChI=1S/C8H10BrClN2O2S/c9-7-2-1-6(10)5-8(7)15(13,14)12-4-3-11/h1-2,5,12H,3-4,11H2
InChIKeyNNUVLLQEZVNWLM-UHFFFAOYSA-N
XLogP1.34
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.60
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dibromo-N-[2-[(2,5-dibromophenyl)sulfonylamino]ethyl]benzenesulfonamide
CID 100820102
2-bromo-5-chloro-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120825163
N-(3-aminopropyl)-2,5-dichlorobenzenesulfonamide;hydrochloride
CID 119962044
N-(2-aminoethyl)-2,5-dibromo-4-methylbenzenesulfonamide;hydrochloride
CID 119960307
3-[(2-bromo-5-chlorophenyl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid
CID 122071549
2-amino-5-chloro-N-(2-sulfamoylethyl)benzenesulfonamide
CID 54888381
N-(2-aminoethyl)-4-bromo-2-fluorobenzenesulfonamide
CID 116527470
3-(3-aminopropylsulfamoyl)-4-bromobenzoic acid
CID 62272961
5-(aminomethyl)-2-bromo-N-(5-chloro-2-methylphenyl)benzenesulfonamide
CID 106031168
N-(3-bromopropyl)-2,5-dichlorobenzenesulfonamide
CID 43167077
5-amino-2-bromo-N-(2-hydroxyethyl)benzenesulfonamide
CID 65201907
5-amino-2-bromo-N-propylbenzenesulfonamide
CID 65202371

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-bromo-5-chlorobenzenesulfonamide?
The IUPAC name of N-(2-aminoethyl)-2-bromo-5-chlorobenzenesulfonamide (CID 120706161) is N-(2-aminoethyl)-2-bromo-5-chlorobenzenesulfonamide.
What is the SMILES notation for N-(2-aminoethyl)-2-bromo-5-chlorobenzenesulfonamide?
The canonical SMILES for N-(2-aminoethyl)-2-bromo-5-chlorobenzenesulfonamide is NCCNS(=O)(=O)c1cc(Cl)ccc1Br.
What is the InChIKey of N-(2-aminoethyl)-2-bromo-5-chlorobenzenesulfonamide?
The InChIKey is NNUVLLQEZVNWLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrClN2O2S/c9-7-2-1-6(10)5-8(7)15(13,14)12-4-3-11/h1-2,5,12H,3-4,11H2.
What are the key properties of N-(2-aminoethyl)-2-bromo-5-chlorobenzenesulfonamide?
N-(2-aminoethyl)-2-bromo-5-chlorobenzenesulfonamide has a molecular weight of 313.60 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-bromo-5-chlorobenzenesulfonamide is sourced from PubChem (CID 120706161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).