4-amino-N-(2-bromoethyl)benzenesulfonamide

C8H11BrN2O2S — CID 125484136

IUPAC4-amino-N-(2-bromoethyl)benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)NCCBr)cc1
InChIInChI=1S/C8H11BrN2O2S/c9-5-6-11-14(12,13)8-3-1-7(10)2-4-8/h1-4,11H,5-6,10H2
InChIKeyDKVBFTBSEMHWOR-UHFFFAOYSA-N
MW279.16 g/mol
LogP0.94
Rot. Bonds4

About 4-amino-N-(2-bromoethyl)benzenesulfonamide

4-amino-N-(2-bromoethyl)benzenesulfonamide (PubChem CID 125484136) has the molecular formula C8H11BrN2O2S and a molecular weight of 279.16 g/mol. Its IUPAC name is 4-amino-N-(2-bromoethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(2-bromoethyl)benzenesulfonamide
PubChem CID125484136
Molecular FormulaC8H11BrN2O2S
Molecular Weight279.16 g/mol
Exact Mass277.97
IUPAC Name4-amino-N-(2-bromoethyl)benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)NCCBr)cc1
InChIInChI=1S/C8H11BrN2O2S/c9-5-6-11-14(12,13)8-3-1-7(10)2-4-8/h1-4,11H,5-6,10H2
InChIKeyDKVBFTBSEMHWOR-UHFFFAOYSA-N
XLogP0.94
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.16
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-[2-[2-[(4-aminophenyl)sulfonylamino]ethylsulfonyl]ethyl]benzenesulfonamide
CID 141378845
4-amino-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide
CID 43545911
4-(4-aminophenyl)-N-[2-(diethylamino)ethyl]benzenesulfonamide
CID 110454407
4-amino-N-(5-hydroxypentyl)benzenesulfonamide
CID 107316374
4-amino-N-[2-(2,6-dichlorophenyl)ethyl]benzenesulfonamide
CID 9150572
4-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]benzenesulfonamide
CID 62975510
4-amino-N-(2-pyridin-1-ium-1-ylethyl)benzenesulfonamide chloride
CID 70585913
4-amino-N-octadecylbenzenesulfonamide;hydrochloride
CID 45050161
4-amino-N-ethylbenzenesulfonamide;molecular hydrogen
CID 143629087
(2S)-2-amino-4-[(4-aminophenyl)sulfonylamino]butanoic acid
CID 67154285
4-amino-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide
CID 75406437
4-amino-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 4962703

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-bromoethyl)benzenesulfonamide?
The IUPAC name of 4-amino-N-(2-bromoethyl)benzenesulfonamide (CID 125484136) is 4-amino-N-(2-bromoethyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-N-(2-bromoethyl)benzenesulfonamide?
The canonical SMILES for 4-amino-N-(2-bromoethyl)benzenesulfonamide is Nc1ccc(S(=O)(=O)NCCBr)cc1.
What is the InChIKey of 4-amino-N-(2-bromoethyl)benzenesulfonamide?
The InChIKey is DKVBFTBSEMHWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2O2S/c9-5-6-11-14(12,13)8-3-1-7(10)2-4-8/h1-4,11H,5-6,10H2.
What are the key properties of 4-amino-N-(2-bromoethyl)benzenesulfonamide?
4-amino-N-(2-bromoethyl)benzenesulfonamide has a molecular weight of 279.16 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-bromoethyl)benzenesulfonamide is sourced from PubChem (CID 125484136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).