3-bromo-4-chloro-N-[2-(ethylamino)ethyl]benzenesulfonamide;hydrochloride

C10H15BrCl2N2O2S — CID 120708859

IUPAC3-bromo-4-chloro-N-[2-(ethylamino)ethyl]benzenesulfonamide;hydrochloride
SMILESCCNCCNS(=O)(=O)c1ccc(Cl)c(Br)c1.Cl
InChIInChI=1S/C10H14BrClN2O2S.ClH/c1-2-13-5-6-14-17(15,16)8-3-4-10(12)9(11)7-8;/h3-4,7,13-14H,2,5-6H2,1H3;1H
InChIKeyWCJVMJHXBGHCHX-UHFFFAOYSA-N
MW378.12 g/mol
LogP2.41
Rot. Bonds6

About 3-bromo-4-chloro-N-[2-(ethylamino)ethyl]benzenesulfonamide;hydrochloride

3-bromo-4-chloro-N-[2-(ethylamino)ethyl]benzenesulfonamide;hydrochloride (PubChem CID 120708859) has the molecular formula C10H15BrCl2N2O2S and a molecular weight of 378.12 g/mol. Its IUPAC name is 3-bromo-4-chloro-N-[2-(ethylamino)ethyl]benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name3-bromo-4-chloro-N-[2-(ethylamino)ethyl]benzenesulfonamide;hydrochloride
PubChem CID120708859
Molecular FormulaC10H15BrCl2N2O2S
Molecular Weight378.12 g/mol
Exact Mass375.94
IUPAC Name3-bromo-4-chloro-N-[2-(ethylamino)ethyl]benzenesulfonamide;hydrochloride
SMILESCCNCCNS(=O)(=O)c1ccc(Cl)c(Br)c1.Cl
InChIInChI=1S/C10H14BrClN2O2S.ClH/c1-2-13-5-6-14-17(15,16)8-3-4-10(12)9(11)7-8;/h3-4,7,13-14H,2,5-6H2,1H3;1H
InChIKeyWCJVMJHXBGHCHX-UHFFFAOYSA-N
XLogP2.41
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.12
LogP ≤ 52.41
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

3-bromo-4-chloro-N-[2-(diethylamino)ethyl]benzenesulfonamide
CID 106545043
3-chloro-N-[2-(ethylamino)ethyl]-4-methylsulfanylbenzenesulfonamide;hydrochloride
CID 120708827
5-bromo-2-chloro-N-[2-(ethylamino)ethyl]benzenesulfonamide
CID 119973900
3-chloro-4-cyano-N-[2-(ethylamino)ethyl]benzenesulfonamide
CID 112703431
N-[2-(ethylamino)ethyl]-3,4-difluorobenzenesulfonamide;hydrochloride
CID 119973477
3-bromo-N-(5-bromopentyl)-4-chlorobenzenesulfonamide
CID 107323027
4-bromo-2,3-dichloro-N-[2-(ethylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120708903
3-[(3-bromo-4-chlorophenyl)sulfonylamino]propanoic acid
CID 106605107
N-[2-(ethylamino)ethyl]-3,4-difluorobenzenesulfonamide
CID 62664046
N-[2-(ethylamino)ethyl]-4-propan-2-ylbenzenesulfonamide;hydrochloride
CID 119973798
3-[(3-bromo-4-chlorophenyl)sulfonylamino]-N,N-dimethylpropanamide
CID 106545570
3-bromo-4-chloro-N-(7-methyloctyl)benzenesulfonamide
CID 106612008

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-N-[2-(ethylamino)ethyl]benzenesulfonamide;hydrochloride?
The IUPAC name of 3-bromo-4-chloro-N-[2-(ethylamino)ethyl]benzenesulfonamide;hydrochloride (CID 120708859) is 3-bromo-4-chloro-N-[2-(ethylamino)ethyl]benzenesulfonamide;hydrochloride.
What is the SMILES notation for 3-bromo-4-chloro-N-[2-(ethylamino)ethyl]benzenesulfonamide;hydrochloride?
The canonical SMILES for 3-bromo-4-chloro-N-[2-(ethylamino)ethyl]benzenesulfonamide;hydrochloride is CCNCCNS(=O)(=O)c1ccc(Cl)c(Br)c1.Cl.
What is the InChIKey of 3-bromo-4-chloro-N-[2-(ethylamino)ethyl]benzenesulfonamide;hydrochloride?
The InChIKey is WCJVMJHXBGHCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrClN2O2S.ClH/c1-2-13-5-6-14-17(15,16)8-3-4-10(12)9(11)7-8;/h3-4,7,13-14H,2,5-6H2,1H3;1H.
What are the key properties of 3-bromo-4-chloro-N-[2-(ethylamino)ethyl]benzenesulfonamide;hydrochloride?
3-bromo-4-chloro-N-[2-(ethylamino)ethyl]benzenesulfonamide;hydrochloride has a molecular weight of 378.12 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-chloro-N-[2-(ethylamino)ethyl]benzenesulfonamide;hydrochloride is sourced from PubChem (CID 120708859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).