5-amino-2-[3-(methanesulfonamido)propylamino]benzenesulfonamide

C10H18N4O4S2 — CID 106333697

IUPAC5-amino-2-[3-(methanesulfonamido)propylamino]benzenesulfonamide
SMILESCS(=O)(=O)NCCCNc1ccc(N)cc1S(N)(=O)=O
InChIInChI=1S/C10H18N4O4S2/c1-19(15,16)14-6-2-5-13-9-4-3-8(11)7-10(9)20(12,17)18/h3-4,7,13-14H,2,5-6,11H2,1H3,(H2,12,17,18)
InChIKeyNLEUGQIGSHAHET-UHFFFAOYSA-N
MW322.41 g/mol
LogP-0.73
Rot. Bonds7

About 5-amino-2-[3-(methanesulfonamido)propylamino]benzenesulfonamide

5-amino-2-[3-(methanesulfonamido)propylamino]benzenesulfonamide (PubChem CID 106333697) has the molecular formula C10H18N4O4S2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 5-amino-2-[3-(methanesulfonamido)propylamino]benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-[3-(methanesulfonamido)propylamino]benzenesulfonamide
PubChem CID106333697
Molecular FormulaC10H18N4O4S2
Molecular Weight322.41 g/mol
Exact Mass322.08
IUPAC Name5-amino-2-[3-(methanesulfonamido)propylamino]benzenesulfonamide
SMILESCS(=O)(=O)NCCCNc1ccc(N)cc1S(N)(=O)=O
InChIInChI=1S/C10H18N4O4S2/c1-19(15,16)14-6-2-5-13-9-4-3-8(11)7-10(9)20(12,17)18/h3-4,7,13-14H,2,5-6,11H2,1H3,(H2,12,17,18)
InChIKeyNLEUGQIGSHAHET-UHFFFAOYSA-N
XLogP-0.73
TPSA144.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 5-0.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(4-amino-2-bromoanilino)propyl]methanesulfonamide
CID 106333784
3-amino-4-[3-(methanesulfonamido)propylamino]benzenesulfonamide
CID 106333712
5-amino-2-(7-methyloctylamino)benzenesulfonamide
CID 107814721
methyl 5-amino-2-[3-(methanesulfonamido)propylamino]benzoate
CID 106341818
5-amino-2-(2-ethylsulfinylethylamino)benzenesulfonamide
CID 113494452
N-[3-[(6-amino-2-methylquinolin-4-yl)amino]propyl]methanesulfonamide
CID 106333831
N-[3-(2-amino-5-bromoanilino)propyl]methanesulfonamide
CID 114174825
N-[3-(2-amino-5-fluoroanilino)propyl]methanesulfonamide
CID 106333751
3-[2-(4-amino-2-sulfamoylanilino)ethyl]-1,1-dimethylurea
CID 83116433
1-N-[3-(2,4-diaminoanilino)propyl]benzene-1,2,4-triamine;sulfuric acid
CID 19357418
5-amino-2-(2,2-dimethylhydrazinyl)benzenesulfonamide
CID 83013156
5-amino-2-[2-(2-methylpyrazol-3-yl)ethylamino]benzenesulfonamide
CID 103004471

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[3-(methanesulfonamido)propylamino]benzenesulfonamide?
The IUPAC name of 5-amino-2-[3-(methanesulfonamido)propylamino]benzenesulfonamide (CID 106333697) is 5-amino-2-[3-(methanesulfonamido)propylamino]benzenesulfonamide.
What is the SMILES notation for 5-amino-2-[3-(methanesulfonamido)propylamino]benzenesulfonamide?
The canonical SMILES for 5-amino-2-[3-(methanesulfonamido)propylamino]benzenesulfonamide is CS(=O)(=O)NCCCNc1ccc(N)cc1S(N)(=O)=O.
What is the InChIKey of 5-amino-2-[3-(methanesulfonamido)propylamino]benzenesulfonamide?
The InChIKey is NLEUGQIGSHAHET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O4S2/c1-19(15,16)14-6-2-5-13-9-4-3-8(11)7-10(9)20(12,17)18/h3-4,7,13-14H,2,5-6,11H2,1H3,(H2,12,17,18).
What are the key properties of 5-amino-2-[3-(methanesulfonamido)propylamino]benzenesulfonamide?
5-amino-2-[3-(methanesulfonamido)propylamino]benzenesulfonamide has a molecular weight of 322.41 g/mol, XLogP of -0.73, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[3-(methanesulfonamido)propylamino]benzenesulfonamide is sourced from PubChem (CID 106333697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).