5-amino-2-bromo-N-[2-(ethylsulfamoyl)ethyl]benzenesulfonamide

C10H16BrN3O4S2 — CID 106333529

IUPAC5-amino-2-bromo-N-[2-(ethylsulfamoyl)ethyl]benzenesulfonamide
SMILESCCNS(=O)(=O)CCNS(=O)(=O)c1cc(N)ccc1Br
InChIInChI=1S/C10H16BrN3O4S2/c1-2-13-19(15,16)6-5-14-20(17,18)10-7-8(12)3-4-9(10)11/h3-4,7,13-14H,2,5-6,12H2,1H3
InChIKeyNURYXVZZFJMUFL-UHFFFAOYSA-N
MW386.29 g/mol
LogP0.25
Rot. Bonds7

About 5-amino-2-bromo-N-[2-(ethylsulfamoyl)ethyl]benzenesulfonamide

5-amino-2-bromo-N-[2-(ethylsulfamoyl)ethyl]benzenesulfonamide (PubChem CID 106333529) has the molecular formula C10H16BrN3O4S2 and a molecular weight of 386.29 g/mol. Its IUPAC name is 5-amino-2-bromo-N-[2-(ethylsulfamoyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-bromo-N-[2-(ethylsulfamoyl)ethyl]benzenesulfonamide
PubChem CID106333529
Molecular FormulaC10H16BrN3O4S2
Molecular Weight386.29 g/mol
Exact Mass384.98
IUPAC Name5-amino-2-bromo-N-[2-(ethylsulfamoyl)ethyl]benzenesulfonamide
SMILESCCNS(=O)(=O)CCNS(=O)(=O)c1cc(N)ccc1Br
InChIInChI=1S/C10H16BrN3O4S2/c1-2-13-19(15,16)6-5-14-20(17,18)10-7-8(12)3-4-9(10)11/h3-4,7,13-14H,2,5-6,12H2,1H3
InChIKeyNURYXVZZFJMUFL-UHFFFAOYSA-N
XLogP0.25
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.29
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-bromo-N-propylbenzenesulfonamide
CID 65202371
5-amino-2-bromo-N-(2-hydroxyethyl)benzenesulfonamide
CID 65201907
2-amino-5-bromo-N-[2-(ethylsulfamoyl)ethyl]benzenesulfonamide
CID 106333542
5-amino-2-bromo-N-(4-hydroxybutyl)benzenesulfonamide
CID 106840167
3-[(5-amino-2-bromophenyl)sulfonylamino]propanamide
CID 65202243
5-amino-2-bromo-N-prop-2-ynylbenzenesulfonamide
CID 65207005
3-[2-[(5-amino-2-bromophenyl)sulfonylamino]ethyl]-1,1-dimethylurea
CID 83108301
5-amino-2-bromo-N-methylbenzenesulfonamide
CID 65201802
5-amino-2-bromo-N-[(2S)-2-hydroxypropyl]benzenesulfonamide
CID 107213331
5-amino-2-fluoro-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide
CID 106333323
5-amino-2-bromo-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 65206667
5-amino-2-bromo-N-[2-(4-fluorophenyl)ethyl]benzenesulfonamide
CID 65202093

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-bromo-N-[2-(ethylsulfamoyl)ethyl]benzenesulfonamide?
The IUPAC name of 5-amino-2-bromo-N-[2-(ethylsulfamoyl)ethyl]benzenesulfonamide (CID 106333529) is 5-amino-2-bromo-N-[2-(ethylsulfamoyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 5-amino-2-bromo-N-[2-(ethylsulfamoyl)ethyl]benzenesulfonamide?
The canonical SMILES for 5-amino-2-bromo-N-[2-(ethylsulfamoyl)ethyl]benzenesulfonamide is CCNS(=O)(=O)CCNS(=O)(=O)c1cc(N)ccc1Br.
What is the InChIKey of 5-amino-2-bromo-N-[2-(ethylsulfamoyl)ethyl]benzenesulfonamide?
The InChIKey is NURYXVZZFJMUFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3O4S2/c1-2-13-19(15,16)6-5-14-20(17,18)10-7-8(12)3-4-9(10)11/h3-4,7,13-14H,2,5-6,12H2,1H3.
What are the key properties of 5-amino-2-bromo-N-[2-(ethylsulfamoyl)ethyl]benzenesulfonamide?
5-amino-2-bromo-N-[2-(ethylsulfamoyl)ethyl]benzenesulfonamide has a molecular weight of 386.29 g/mol, XLogP of 0.25, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-bromo-N-[2-(ethylsulfamoyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 106333529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).