2-amino-5-chloro-N-(2-sulfamoylethyl)benzenesulfonamide

C8H12ClN3O4S2 — CID 54888381

IUPAC2-amino-5-chloro-N-(2-sulfamoylethyl)benzenesulfonamide
SMILESNc1ccc(Cl)cc1S(=O)(=O)NCCS(N)(=O)=O
InChIInChI=1S/C8H12ClN3O4S2/c9-6-1-2-7(10)8(5-6)18(15,16)12-3-4-17(11,13)14/h1-2,5,12H,3-4,10H2,(H2,11,13,14)
InChIKeyGADIACKKZGGUAD-UHFFFAOYSA-N
MW313.79 g/mol
LogP-0.51
Rot. Bonds5

About 2-amino-5-chloro-N-(2-sulfamoylethyl)benzenesulfonamide

2-amino-5-chloro-N-(2-sulfamoylethyl)benzenesulfonamide (PubChem CID 54888381) has the molecular formula C8H12ClN3O4S2 and a molecular weight of 313.79 g/mol. Its IUPAC name is 2-amino-5-chloro-N-(2-sulfamoylethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-5-chloro-N-(2-sulfamoylethyl)benzenesulfonamide
PubChem CID54888381
Molecular FormulaC8H12ClN3O4S2
Molecular Weight313.79 g/mol
Exact Mass313.00
IUPAC Name2-amino-5-chloro-N-(2-sulfamoylethyl)benzenesulfonamide
SMILESNc1ccc(Cl)cc1S(=O)(=O)NCCS(N)(=O)=O
InChIInChI=1S/C8H12ClN3O4S2/c9-6-1-2-7(10)8(5-6)18(15,16)12-3-4-17(11,13)14/h1-2,5,12H,3-4,10H2,(H2,11,13,14)
InChIKeyGADIACKKZGGUAD-UHFFFAOYSA-N
XLogP-0.51
TPSA132.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.79
LogP ≤ 5-0.51
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

2-amino-5-chloro-N-hexylbenzenesulfonamide
CID 61108372
2-amino-5-chloro-N-(3-propoxypropyl)benzenesulfonamide
CID 82940052
2-amino-5-chloro-N-hex-5-ynylbenzenesulfonamide
CID 106208461
3-[(2-amino-5-chlorophenyl)sulfonylamino]-N,N-dimethylpropanamide
CID 61127654
3-[2-[(2-amino-5-chlorophenyl)sulfonylamino]ethyl]-1,1-dimethylurea
CID 83108543
2-amino-5-chloro-N-[(3-chlorophenyl)methyl]benzenesulfonamide
CID 61108918
2-amino-5-chloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzenesulfonamide
CID 62845016
N-(2-aminoethyl)-2-bromo-5-chlorobenzenesulfonamide
CID 120706161
2-amino-5-chloro-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 62522972
2-[(2-amino-5-chlorophenyl)sulfonylamino]-N,N-dimethylacetamide
CID 54888759
2-amino-5-chloro-N-[2-(dimethylamino)propyl]benzenesulfonamide
CID 61127626
2-amino-5-chloro-N-[(2-fluorophenyl)methyl]benzenesulfonamide
CID 60986102

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-chloro-N-(2-sulfamoylethyl)benzenesulfonamide?
The IUPAC name of 2-amino-5-chloro-N-(2-sulfamoylethyl)benzenesulfonamide (CID 54888381) is 2-amino-5-chloro-N-(2-sulfamoylethyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-5-chloro-N-(2-sulfamoylethyl)benzenesulfonamide?
The canonical SMILES for 2-amino-5-chloro-N-(2-sulfamoylethyl)benzenesulfonamide is Nc1ccc(Cl)cc1S(=O)(=O)NCCS(N)(=O)=O.
What is the InChIKey of 2-amino-5-chloro-N-(2-sulfamoylethyl)benzenesulfonamide?
The InChIKey is GADIACKKZGGUAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3O4S2/c9-6-1-2-7(10)8(5-6)18(15,16)12-3-4-17(11,13)14/h1-2,5,12H,3-4,10H2,(H2,11,13,14).
What are the key properties of 2-amino-5-chloro-N-(2-sulfamoylethyl)benzenesulfonamide?
2-amino-5-chloro-N-(2-sulfamoylethyl)benzenesulfonamide has a molecular weight of 313.79 g/mol, XLogP of -0.51, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-chloro-N-(2-sulfamoylethyl)benzenesulfonamide is sourced from PubChem (CID 54888381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).