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

C10H14BrCl3N2O2S — CID 120708903

IUPAC4-bromo-2,3-dichloro-N-[2-(ethylamino)ethyl]benzenesulfonamide;hydrochloride
SMILESCCNCCNS(=O)(=O)c1ccc(Br)c(Cl)c1Cl.Cl
InChIInChI=1S/C10H13BrCl2N2O2S.ClH/c1-2-14-5-6-15-18(16,17)8-4-3-7(11)9(12)10(8)13;/h3-4,14-15H,2,5-6H2,1H3;1H
InChIKeySQRRQJVHKSGCBX-UHFFFAOYSA-N
MW412.56 g/mol
LogP3.07
Rot. Bonds6

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

4-bromo-2,3-dichloro-N-[2-(ethylamino)ethyl]benzenesulfonamide;hydrochloride (PubChem CID 120708903) has the molecular formula C10H14BrCl3N2O2S and a molecular weight of 412.56 g/mol. Its IUPAC name is 4-bromo-2,3-dichloro-N-[2-(ethylamino)ethyl]benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name4-bromo-2,3-dichloro-N-[2-(ethylamino)ethyl]benzenesulfonamide;hydrochloride
PubChem CID120708903
Molecular FormulaC10H14BrCl3N2O2S
Molecular Weight412.56 g/mol
Exact Mass409.90
IUPAC Name4-bromo-2,3-dichloro-N-[2-(ethylamino)ethyl]benzenesulfonamide;hydrochloride
SMILESCCNCCNS(=O)(=O)c1ccc(Br)c(Cl)c1Cl.Cl
InChIInChI=1S/C10H13BrCl2N2O2S.ClH/c1-2-14-5-6-15-18(16,17)8-4-3-7(11)9(12)10(8)13;/h3-4,14-15H,2,5-6H2,1H3;1H
InChIKeySQRRQJVHKSGCBX-UHFFFAOYSA-N
XLogP3.07
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.56
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

4-bromo-2,3-dichloro-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 120708767
2-bromo-N-[2-(ethylamino)ethyl]benzenesulfonamide;hydrochloride
CID 119973933
5-bromo-2-chloro-N-[2-(ethylamino)ethyl]benzenesulfonamide
CID 119973900
3-bromo-4-chloro-N-[2-(ethylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120708859
2-bromo-N-[2-(ethylamino)ethyl]-5-fluorobenzenesulfonamide
CID 119973707
4-chloro-N-[2-(ethylamino)ethyl]-2-methylbenzenesulfonamide;hydrochloride
CID 119973952
2-bromo-N-[2-(ethylamino)ethyl]-3-methylbenzenesulfonamide;hydrochloride
CID 119973473
3-bromo-2-chloro-N-ethylbenzenesulfonamide
CID 164657063
2,5-dibromo-N-[3-(ethylamino)propyl]benzenesulfonamide
CID 43606581
N-[2-(ethylamino)ethyl]-4-propan-2-ylbenzenesulfonamide;hydrochloride
CID 119973798
N-[2-(ethylamino)ethyl]-3-fluoro-2-methylbenzenesulfonamide;hydrochloride
CID 119973457
N-[2-(ethylamino)ethyl]-2,4-dimethoxybenzenesulfonamide
CID 62664941

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,3-dichloro-N-[2-(ethylamino)ethyl]benzenesulfonamide;hydrochloride?
The IUPAC name of 4-bromo-2,3-dichloro-N-[2-(ethylamino)ethyl]benzenesulfonamide;hydrochloride (CID 120708903) is 4-bromo-2,3-dichloro-N-[2-(ethylamino)ethyl]benzenesulfonamide;hydrochloride.
What is the SMILES notation for 4-bromo-2,3-dichloro-N-[2-(ethylamino)ethyl]benzenesulfonamide;hydrochloride?
The canonical SMILES for 4-bromo-2,3-dichloro-N-[2-(ethylamino)ethyl]benzenesulfonamide;hydrochloride is CCNCCNS(=O)(=O)c1ccc(Br)c(Cl)c1Cl.Cl.
What is the InChIKey of 4-bromo-2,3-dichloro-N-[2-(ethylamino)ethyl]benzenesulfonamide;hydrochloride?
The InChIKey is SQRRQJVHKSGCBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrCl2N2O2S.ClH/c1-2-14-5-6-15-18(16,17)8-4-3-7(11)9(12)10(8)13;/h3-4,14-15H,2,5-6H2,1H3;1H.
What are the key properties of 4-bromo-2,3-dichloro-N-[2-(ethylamino)ethyl]benzenesulfonamide;hydrochloride?
4-bromo-2,3-dichloro-N-[2-(ethylamino)ethyl]benzenesulfonamide;hydrochloride has a molecular weight of 412.56 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,3-dichloro-N-[2-(ethylamino)ethyl]benzenesulfonamide;hydrochloride is sourced from PubChem (CID 120708903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).