4-(propylamino)-N-(2-sulfamoylethyl)benzenesulfonamide

C11H19N3O4S2 — CID 62146808

IUPAC4-(propylamino)-N-(2-sulfamoylethyl)benzenesulfonamide
SMILESCCCNc1ccc(S(=O)(=O)NCCS(N)(=O)=O)cc1
InChIInChI=1S/C11H19N3O4S2/c1-2-7-13-10-3-5-11(6-4-10)20(17,18)14-8-9-19(12,15)16/h3-6,13-14H,2,7-9H2,1H3,(H2,12,15,16)
InChIKeyPMVKLIJUPJMAKP-UHFFFAOYSA-N
MW321.42 g/mol
LogP0.08
Rot. Bonds8

About 4-(propylamino)-N-(2-sulfamoylethyl)benzenesulfonamide

4-(propylamino)-N-(2-sulfamoylethyl)benzenesulfonamide (PubChem CID 62146808) has the molecular formula C11H19N3O4S2 and a molecular weight of 321.42 g/mol. Its IUPAC name is 4-(propylamino)-N-(2-sulfamoylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(propylamino)-N-(2-sulfamoylethyl)benzenesulfonamide
PubChem CID62146808
Molecular FormulaC11H19N3O4S2
Molecular Weight321.42 g/mol
Exact Mass321.08
IUPAC Name4-(propylamino)-N-(2-sulfamoylethyl)benzenesulfonamide
SMILESCCCNc1ccc(S(=O)(=O)NCCS(N)(=O)=O)cc1
InChIInChI=1S/C11H19N3O4S2/c1-2-7-13-10-3-5-11(6-4-10)20(17,18)14-8-9-19(12,15)16/h3-6,13-14H,2,7-9H2,1H3,(H2,12,15,16)
InChIKeyPMVKLIJUPJMAKP-UHFFFAOYSA-N
XLogP0.08
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-4-(propylamino)benzenesulfonamide
CID 43453948
3-[[4-(propylamino)phenyl]sulfonylamino]propanamide
CID 62146441
N-(2,2-dimethylpropyl)-4-(propylamino)benzenesulfonamide
CID 62147451
4-[2-(ethylamino)ethylamino]-N-propylbenzenesulfonamide
CID 62665534
4-(6-aminohexylamino)-N-propylbenzenesulfonamide
CID 107844635
4-[2-(dimethylamino)ethylamino]-N-propylbenzenesulfonamide
CID 43454080
2-[2-[[4-(propylamino)phenyl]sulfonylamino]ethoxy]acetamide
CID 106240983
4-(4-hydroxybutylamino)-N-propylbenzenesulfonamide
CID 106842590
4-bromo-N-[4-(propylamino)phenyl]benzenesulfonamide
CID 112979761
4-[(4-amino-2,2-dimethylbutyl)amino]-N-propylbenzenesulfonamide
CID 106141961
N-(4-iodophenyl)-4-(propylamino)benzenesulfonamide
CID 62142672
N-(3-ethylpentan-3-yl)-4-(propylamino)benzenesulfonamide
CID 65042766

Frequently Asked Questions

What is the IUPAC name of 4-(propylamino)-N-(2-sulfamoylethyl)benzenesulfonamide?
The IUPAC name of 4-(propylamino)-N-(2-sulfamoylethyl)benzenesulfonamide (CID 62146808) is 4-(propylamino)-N-(2-sulfamoylethyl)benzenesulfonamide.
What is the SMILES notation for 4-(propylamino)-N-(2-sulfamoylethyl)benzenesulfonamide?
The canonical SMILES for 4-(propylamino)-N-(2-sulfamoylethyl)benzenesulfonamide is CCCNc1ccc(S(=O)(=O)NCCS(N)(=O)=O)cc1.
What is the InChIKey of 4-(propylamino)-N-(2-sulfamoylethyl)benzenesulfonamide?
The InChIKey is PMVKLIJUPJMAKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4S2/c1-2-7-13-10-3-5-11(6-4-10)20(17,18)14-8-9-19(12,15)16/h3-6,13-14H,2,7-9H2,1H3,(H2,12,15,16).
What are the key properties of 4-(propylamino)-N-(2-sulfamoylethyl)benzenesulfonamide?
4-(propylamino)-N-(2-sulfamoylethyl)benzenesulfonamide has a molecular weight of 321.42 g/mol, XLogP of 0.08, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(propylamino)-N-(2-sulfamoylethyl)benzenesulfonamide is sourced from PubChem (CID 62146808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).