N-[2-(benzenesulfonamido)ethyl]-3-bromobenzamide

C15H15BrN2O3S — CID 108571471

IUPACN-[2-(benzenesulfonamido)ethyl]-3-bromobenzamide
SMILESO=C(NCCNS(=O)(=O)c1ccccc1)c1cccc(Br)c1
InChIInChI=1S/C15H15BrN2O3S/c16-13-6-4-5-12(11-13)15(19)17-9-10-18-22(20,21)14-7-2-1-3-8-14/h1-8,11,18H,9-10H2,(H,17,19)
InChIKeyOKKAIFDADFOMTB-UHFFFAOYSA-N
MW383.27 g/mol
LogP2.16
Rot. Bonds6

About N-[2-(benzenesulfonamido)ethyl]-3-bromobenzamide

N-[2-(benzenesulfonamido)ethyl]-3-bromobenzamide (PubChem CID 108571471) has the molecular formula C15H15BrN2O3S and a molecular weight of 383.27 g/mol. Its IUPAC name is N-[2-(benzenesulfonamido)ethyl]-3-bromobenzamide.

Molecular Properties

Compound NameN-[2-(benzenesulfonamido)ethyl]-3-bromobenzamide
PubChem CID108571471
Molecular FormulaC15H15BrN2O3S
Molecular Weight383.27 g/mol
Exact Mass382.00
IUPAC NameN-[2-(benzenesulfonamido)ethyl]-3-bromobenzamide
SMILESO=C(NCCNS(=O)(=O)c1ccccc1)c1cccc(Br)c1
InChIInChI=1S/C15H15BrN2O3S/c16-13-6-4-5-12(11-13)15(19)17-9-10-18-22(20,21)14-7-2-1-3-8-14/h1-8,11,18H,9-10H2,(H,17,19)
InChIKeyOKKAIFDADFOMTB-UHFFFAOYSA-N
XLogP2.16
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.27
LogP ≤ 52.16
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

N-[2-[(4-bromophenyl)sulfonylamino]ethyl]-3-hydroxybenzamide
CID 108575028
3-bromo-N-[2-(propylsulfonylamino)ethyl]benzamide
CID 51104006
3-(2-benzamidoethylsulfamoyl)benzenesulfonyl fluoride
CID 166407089
N'-(benzenesulfonyl)-3-bromobenzohydrazide
CID 1035450
2-[2-[(3-bromobenzoyl)amino]ethylcarbamoyl]benzoic acid
CID 113083357
3-(benzylsulfamoyl)-N-[(3-bromophenyl)methyl]benzamide
CID 55577848
N-[2-(benzylsulfamoyl)ethyl]-3-bromobenzamide
CID 55726600
3-bromo-N-[2-(phenylsulfamoyl)ethyl]benzamide
CID 110601282
N-[2-[(4-bromo-2,6-dichlorophenyl)sulfonylamino]ethyl]benzamide
CID 24663432
N-[2-(benzenesulfonamido)ethyl]-3,5-dimethoxybenzamide
CID 108571361
N-[2-(benzenesulfonamido)ethyl]-1,3-benzodioxole-5-carboxamide
CID 108574611
N-(2-methoxyethyl)-3-(2-methoxyethylsulfamoyl)benzamide
CID 55565687

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzenesulfonamido)ethyl]-3-bromobenzamide?
The IUPAC name of N-[2-(benzenesulfonamido)ethyl]-3-bromobenzamide (CID 108571471) is N-[2-(benzenesulfonamido)ethyl]-3-bromobenzamide.
What is the SMILES notation for N-[2-(benzenesulfonamido)ethyl]-3-bromobenzamide?
The canonical SMILES for N-[2-(benzenesulfonamido)ethyl]-3-bromobenzamide is O=C(NCCNS(=O)(=O)c1ccccc1)c1cccc(Br)c1.
What is the InChIKey of N-[2-(benzenesulfonamido)ethyl]-3-bromobenzamide?
The InChIKey is OKKAIFDADFOMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O3S/c16-13-6-4-5-12(11-13)15(19)17-9-10-18-22(20,21)14-7-2-1-3-8-14/h1-8,11,18H,9-10H2,(H,17,19).
What are the key properties of N-[2-(benzenesulfonamido)ethyl]-3-bromobenzamide?
N-[2-(benzenesulfonamido)ethyl]-3-bromobenzamide has a molecular weight of 383.27 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzenesulfonamido)ethyl]-3-bromobenzamide is sourced from PubChem (CID 108571471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).