4-[(3-aminopropylsulfonylamino)methyl]benzenesulfonamide

C10H17N3O4S2 — CID 60910335

IUPAC4-[(3-aminopropylsulfonylamino)methyl]benzenesulfonamide
SMILESNCCCS(=O)(=O)NCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C10H17N3O4S2/c11-6-1-7-18(14,15)13-8-9-2-4-10(5-3-9)19(12,16)17/h2-5,13H,1,6-8,11H2,(H2,12,16,17)
InChIKeyCDAMOZGCTFNJJA-UHFFFAOYSA-N
MW307.40 g/mol
LogP-0.90
Rot. Bonds7

About 4-[(3-aminopropylsulfonylamino)methyl]benzenesulfonamide

4-[(3-aminopropylsulfonylamino)methyl]benzenesulfonamide (PubChem CID 60910335) has the molecular formula C10H17N3O4S2 and a molecular weight of 307.40 g/mol. Its IUPAC name is 4-[(3-aminopropylsulfonylamino)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[(3-aminopropylsulfonylamino)methyl]benzenesulfonamide
PubChem CID60910335
Molecular FormulaC10H17N3O4S2
Molecular Weight307.40 g/mol
Exact Mass307.07
IUPAC Name4-[(3-aminopropylsulfonylamino)methyl]benzenesulfonamide
SMILESNCCCS(=O)(=O)NCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C10H17N3O4S2/c11-6-1-7-18(14,15)13-8-9-2-4-10(5-3-9)19(12,16)17/h2-5,13H,1,6-8,11H2,(H2,12,16,17)
InChIKeyCDAMOZGCTFNJJA-UHFFFAOYSA-N
XLogP-0.90
TPSA132.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 5-0.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(bromomethylsulfonylamino)methyl]benzenesulfonamide
CID 83092326
4-[[(3-chloro-2-methylpropyl)sulfonylamino]methyl]benzenesulfonamide
CID 79580119
6-amino-N-[(4-sulfamoylphenyl)methyl]hexanamide
CID 24689884
2-(2-aminoethylamino)-N-[(4-methylphenyl)methyl]ethanesulfonamide
CID 102359293
3-amino-N-[(3-methoxyphenyl)methyl]propane-1-sulfonamide
CID 54911342
N-[(4-methylsulfonylphenyl)methyl]propane-1-sulfonamide
CID 47387345
4-amino-N-[(3-bromophenyl)methyl]butane-1-sulfonamide
CID 106018731
4-(3-aminopropylamino)benzenesulfonamide
CID 43453740
4-N-[(4-methoxyphenyl)methyl]benzene-1,4-disulfonamide
CID 26527057
3-chloro-N-[[4-(hydroxymethyl)phenyl]methyl]propane-1-sulfonamide
CID 107232812
N-[(4-fluorophenyl)methyl]-3-hydroxypropane-1-sulfonamide
CID 94689041
3-fluoro-N-[(6-oxo-1H-pyridin-3-yl)methyl]propane-1-sulfonamide
CID 75443925

Frequently Asked Questions

What is the IUPAC name of 4-[(3-aminopropylsulfonylamino)methyl]benzenesulfonamide?
The IUPAC name of 4-[(3-aminopropylsulfonylamino)methyl]benzenesulfonamide (CID 60910335) is 4-[(3-aminopropylsulfonylamino)methyl]benzenesulfonamide.
What is the SMILES notation for 4-[(3-aminopropylsulfonylamino)methyl]benzenesulfonamide?
The canonical SMILES for 4-[(3-aminopropylsulfonylamino)methyl]benzenesulfonamide is NCCCS(=O)(=O)NCc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-[(3-aminopropylsulfonylamino)methyl]benzenesulfonamide?
The InChIKey is CDAMOZGCTFNJJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O4S2/c11-6-1-7-18(14,15)13-8-9-2-4-10(5-3-9)19(12,16)17/h2-5,13H,1,6-8,11H2,(H2,12,16,17).
What are the key properties of 4-[(3-aminopropylsulfonylamino)methyl]benzenesulfonamide?
4-[(3-aminopropylsulfonylamino)methyl]benzenesulfonamide has a molecular weight of 307.40 g/mol, XLogP of -0.90, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-aminopropylsulfonylamino)methyl]benzenesulfonamide is sourced from PubChem (CID 60910335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).