3-bromo-4-chloro-N-[2-(diethylamino)ethyl]benzenesulfonamide

C12H18BrClN2O2S — CID 106545043

IUPAC3-bromo-4-chloro-N-[2-(diethylamino)ethyl]benzenesulfonamide
SMILESCCN(CC)CCNS(=O)(=O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C12H18BrClN2O2S/c1-3-16(4-2)8-7-15-19(17,18)10-5-6-12(14)11(13)9-10/h5-6,9,15H,3-4,7-8H2,1-2H3
InChIKeyLYRVFSWZUGDAGZ-UHFFFAOYSA-N
MW369.71 g/mol
LogP2.72
Rot. Bonds7

About 3-bromo-4-chloro-N-[2-(diethylamino)ethyl]benzenesulfonamide

3-bromo-4-chloro-N-[2-(diethylamino)ethyl]benzenesulfonamide (PubChem CID 106545043) has the molecular formula C12H18BrClN2O2S and a molecular weight of 369.71 g/mol. Its IUPAC name is 3-bromo-4-chloro-N-[2-(diethylamino)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-bromo-4-chloro-N-[2-(diethylamino)ethyl]benzenesulfonamide
PubChem CID106545043
Molecular FormulaC12H18BrClN2O2S
Molecular Weight369.71 g/mol
Exact Mass368.00
IUPAC Name3-bromo-4-chloro-N-[2-(diethylamino)ethyl]benzenesulfonamide
SMILESCCN(CC)CCNS(=O)(=O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C12H18BrClN2O2S/c1-3-16(4-2)8-7-15-19(17,18)10-5-6-12(14)11(13)9-10/h5-6,9,15H,3-4,7-8H2,1-2H3
InChIKeyLYRVFSWZUGDAGZ-UHFFFAOYSA-N
XLogP2.72
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.71
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[2-(diethylamino)ethyl]-4-fluorobenzenesulfonamide
CID 8716582
3-bromo-4-chloro-N-[2-(ethylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120708859
4-chloro-N-[2-(diethylamino)ethyl]benzenesulfonamide;hydron;chloride
CID 2998823
3-bromo-N-(5-bromopentyl)-4-chlorobenzenesulfonamide
CID 107323027
N-[2-(diethylamino)ethyl]naphthalene-2-sulfonamide
CID 8716562
2-[(3-bromo-4-chlorophenyl)sulfonylamino]-N,N-diethylacetamide
CID 106545765
3-[(3-bromo-4-chlorophenyl)sulfonylamino]-N,N-dimethylpropanamide
CID 106545570
3-bromo-4-chloro-N-[1-(diethylamino)propan-2-yl]benzenesulfonamide
CID 106612140
4-bromo-2,6-dichloro-N-[2-(diethylamino)ethyl]benzenesulfonamide
CID 4967816
3-[(3-bromo-4-chlorophenyl)sulfonylamino]propanoic acid
CID 106605107
4-tert-butyl-N-[2-(diethylamino)ethyl]benzenesulfonamide
CID 8716590
N-[2-(diethylamino)ethyl]-4-(methylamino)benzenesulfonamide
CID 43332072

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-N-[2-(diethylamino)ethyl]benzenesulfonamide?
The IUPAC name of 3-bromo-4-chloro-N-[2-(diethylamino)ethyl]benzenesulfonamide (CID 106545043) is 3-bromo-4-chloro-N-[2-(diethylamino)ethyl]benzenesulfonamide.
What is the SMILES notation for 3-bromo-4-chloro-N-[2-(diethylamino)ethyl]benzenesulfonamide?
The canonical SMILES for 3-bromo-4-chloro-N-[2-(diethylamino)ethyl]benzenesulfonamide is CCN(CC)CCNS(=O)(=O)c1ccc(Cl)c(Br)c1.
What is the InChIKey of 3-bromo-4-chloro-N-[2-(diethylamino)ethyl]benzenesulfonamide?
The InChIKey is LYRVFSWZUGDAGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrClN2O2S/c1-3-16(4-2)8-7-15-19(17,18)10-5-6-12(14)11(13)9-10/h5-6,9,15H,3-4,7-8H2,1-2H3.
What are the key properties of 3-bromo-4-chloro-N-[2-(diethylamino)ethyl]benzenesulfonamide?
3-bromo-4-chloro-N-[2-(diethylamino)ethyl]benzenesulfonamide has a molecular weight of 369.71 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-chloro-N-[2-(diethylamino)ethyl]benzenesulfonamide is sourced from PubChem (CID 106545043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).