N-phenyl-2-(propylsulfamoylamino)ethanesulfonamide

C11H19N3O4S2 — CID 110606791

IUPACN-phenyl-2-(propylsulfamoylamino)ethanesulfonamide
SMILESCCCNS(=O)(=O)NCCS(=O)(=O)Nc1ccccc1
InChIInChI=1S/C11H19N3O4S2/c1-2-8-12-20(17,18)13-9-10-19(15,16)14-11-6-4-3-5-7-11/h3-7,12-14H,2,8-10H2,1H3
InChIKeyYYQIGLJOWASHCM-UHFFFAOYSA-N
MW321.42 g/mol
LogP0.26
Rot. Bonds9

About N-phenyl-2-(propylsulfamoylamino)ethanesulfonamide

N-phenyl-2-(propylsulfamoylamino)ethanesulfonamide (PubChem CID 110606791) has the molecular formula C11H19N3O4S2 and a molecular weight of 321.42 g/mol. Its IUPAC name is N-phenyl-2-(propylsulfamoylamino)ethanesulfonamide.

Molecular Properties

Compound NameN-phenyl-2-(propylsulfamoylamino)ethanesulfonamide
PubChem CID110606791
Molecular FormulaC11H19N3O4S2
Molecular Weight321.42 g/mol
Exact Mass321.08
IUPAC NameN-phenyl-2-(propylsulfamoylamino)ethanesulfonamide
SMILESCCCNS(=O)(=O)NCCS(=O)(=O)Nc1ccccc1
InChIInChI=1S/C11H19N3O4S2/c1-2-8-12-20(17,18)13-9-10-19(15,16)14-11-6-4-3-5-7-11/h3-7,12-14H,2,8-10H2,1H3
InChIKeyYYQIGLJOWASHCM-UHFFFAOYSA-N
XLogP0.26
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-phenoxy-N-(propylsulfamoyl)aniline
CID 110425619
N-[2-(phenylsulfamoyl)ethyl]-4-propan-2-ylbenzenesulfonamide
CID 110408296
2-[(4-fluorophenyl)methylsulfonylamino]-N-phenylethanesulfonamide
CID 110601354
2-ethyl-N-[2-(phenylsulfamoyl)ethyl]butanamide
CID 110408207
N-[4-[2-(phenylsulfamoyl)ethylsulfamoyl]phenyl]acetamide
CID 110408312
5-chloro-N-[2-(phenylsulfamoyl)ethyl]thiophene-2-sulfonamide
CID 110601348
oxathiaziridine;bis(N-phenylbutane-1-sulfonamide)
CID 175405925
4-fluoro-2-methyl-N-[2-(phenylsulfamoyl)ethyl]benzenesulfonamide
CID 110408299
N-(4-chlorophenyl)-2-(propylamino)ethanesulfonamide
CID 114141200
3-bromo-N-phenylpropane-1-sulfonamide
CID 118418114
N-[4-(3-phenylpropylamino)phenyl]propane-1-sulfonamide
CID 112984765
2-methoxy-5-methyl-N-[2-(phenylsulfamoyl)ethyl]benzenesulfonamide
CID 110601340

Frequently Asked Questions

What is the IUPAC name of N-phenyl-2-(propylsulfamoylamino)ethanesulfonamide?
The IUPAC name of N-phenyl-2-(propylsulfamoylamino)ethanesulfonamide (CID 110606791) is N-phenyl-2-(propylsulfamoylamino)ethanesulfonamide.
What is the SMILES notation for N-phenyl-2-(propylsulfamoylamino)ethanesulfonamide?
The canonical SMILES for N-phenyl-2-(propylsulfamoylamino)ethanesulfonamide is CCCNS(=O)(=O)NCCS(=O)(=O)Nc1ccccc1.
What is the InChIKey of N-phenyl-2-(propylsulfamoylamino)ethanesulfonamide?
The InChIKey is YYQIGLJOWASHCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4S2/c1-2-8-12-20(17,18)13-9-10-19(15,16)14-11-6-4-3-5-7-11/h3-7,12-14H,2,8-10H2,1H3.
What are the key properties of N-phenyl-2-(propylsulfamoylamino)ethanesulfonamide?
N-phenyl-2-(propylsulfamoylamino)ethanesulfonamide has a molecular weight of 321.42 g/mol, XLogP of 0.26, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-2-(propylsulfamoylamino)ethanesulfonamide is sourced from PubChem (CID 110606791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).