3-[1-(2-sulfamoylethylamino)ethyl]benzenesulfonamide

C10H17N3O4S2 — CID 43777275

IUPAC3-[1-(2-sulfamoylethylamino)ethyl]benzenesulfonamide
SMILESCC(NCCS(N)(=O)=O)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C10H17N3O4S2/c1-8(13-5-6-18(11,14)15)9-3-2-4-10(7-9)19(12,16)17/h2-4,7-8,13H,5-6H2,1H3,(H2,11,14,15)(H2,12,16,17)
InChIKeyIMFPKIOSGVFPPY-UHFFFAOYSA-N
MW307.40 g/mol
LogP-0.73
Rot. Bonds6

About 3-[1-(2-sulfamoylethylamino)ethyl]benzenesulfonamide

3-[1-(2-sulfamoylethylamino)ethyl]benzenesulfonamide (PubChem CID 43777275) has the molecular formula C10H17N3O4S2 and a molecular weight of 307.40 g/mol. Its IUPAC name is 3-[1-(2-sulfamoylethylamino)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-[1-(2-sulfamoylethylamino)ethyl]benzenesulfonamide
PubChem CID43777275
Molecular FormulaC10H17N3O4S2
Molecular Weight307.40 g/mol
Exact Mass307.07
IUPAC Name3-[1-(2-sulfamoylethylamino)ethyl]benzenesulfonamide
SMILESCC(NCCS(N)(=O)=O)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C10H17N3O4S2/c1-8(13-5-6-18(11,14)15)9-3-2-4-10(7-9)19(12,16)17/h2-4,7-8,13H,5-6H2,1H3,(H2,11,14,15)(H2,12,16,17)
InChIKeyIMFPKIOSGVFPPY-UHFFFAOYSA-N
XLogP-0.73
TPSA132.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 5-0.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-(propylamino)ethyl]benzenesulfonamide
CID 43506958
3-[1-(4-methylpentylamino)ethyl]benzenesulfonamide
CID 54913678
4-[1-(3-sulfamoylphenyl)ethylamino]butanoic acid
CID 60782795
3-[1-(3-methylsulfinylpropylamino)ethyl]benzenesulfonamide
CID 115898473
3-[1-[2-[ethyl(methyl)amino]ethylamino]ethyl]benzenesulfonamide
CID 62635028
3-[1-(3-cyclopropylpropylamino)ethyl]benzenesulfonamide
CID 115898656
3-[1-[3-(2-methylpropoxy)propylamino]ethyl]benzenesulfonamide
CID 43770073
3-[1-(propan-2-ylamino)ethyl]benzenesulfonamide
CID 43232021
3-[1-(2-chloroprop-2-enylamino)ethyl]benzenesulfonamide
CID 115574935
3-[1-[2-(1H-1,2,4-triazol-5-yl)ethylamino]ethyl]benzenesulfonamide
CID 64547537
3-[1-[[(1R)-1-phenylethyl]amino]ethyl]benzenesulfonamide
CID 81351259
3-[1-(2,2-diethoxyethylamino)ethyl]benzenesulfonamide
CID 79537992

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-sulfamoylethylamino)ethyl]benzenesulfonamide?
The IUPAC name of 3-[1-(2-sulfamoylethylamino)ethyl]benzenesulfonamide (CID 43777275) is 3-[1-(2-sulfamoylethylamino)ethyl]benzenesulfonamide.
What is the SMILES notation for 3-[1-(2-sulfamoylethylamino)ethyl]benzenesulfonamide?
The canonical SMILES for 3-[1-(2-sulfamoylethylamino)ethyl]benzenesulfonamide is CC(NCCS(N)(=O)=O)c1cccc(S(N)(=O)=O)c1.
What is the InChIKey of 3-[1-(2-sulfamoylethylamino)ethyl]benzenesulfonamide?
The InChIKey is IMFPKIOSGVFPPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O4S2/c1-8(13-5-6-18(11,14)15)9-3-2-4-10(7-9)19(12,16)17/h2-4,7-8,13H,5-6H2,1H3,(H2,11,14,15)(H2,12,16,17).
What are the key properties of 3-[1-(2-sulfamoylethylamino)ethyl]benzenesulfonamide?
3-[1-(2-sulfamoylethylamino)ethyl]benzenesulfonamide has a molecular weight of 307.40 g/mol, XLogP of -0.73, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-sulfamoylethylamino)ethyl]benzenesulfonamide is sourced from PubChem (CID 43777275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).