1-(4-aminophenyl)-3-[3-(methanesulfonamido)propyl]urea

C11H18N4O3S — CID 106340062

IUPAC1-(4-aminophenyl)-3-[3-(methanesulfonamido)propyl]urea
SMILESCS(=O)(=O)NCCCNC(=O)Nc1ccc(N)cc1
InChIInChI=1S/C11H18N4O3S/c1-19(17,18)14-8-2-7-13-11(16)15-10-5-3-9(12)4-6-10/h3-6,14H,2,7-8,12H2,1H3,(H2,13,15,16)
InChIKeyBGIBXZYRMNFJHH-UHFFFAOYSA-N
MW286.36 g/mol
LogP0.33
Rot. Bonds6

About 1-(4-aminophenyl)-3-[3-(methanesulfonamido)propyl]urea

1-(4-aminophenyl)-3-[3-(methanesulfonamido)propyl]urea (PubChem CID 106340062) has the molecular formula C11H18N4O3S and a molecular weight of 286.36 g/mol. Its IUPAC name is 1-(4-aminophenyl)-3-[3-(methanesulfonamido)propyl]urea.

Molecular Properties

Compound Name1-(4-aminophenyl)-3-[3-(methanesulfonamido)propyl]urea
PubChem CID106340062
Molecular FormulaC11H18N4O3S
Molecular Weight286.36 g/mol
Exact Mass286.11
IUPAC Name1-(4-aminophenyl)-3-[3-(methanesulfonamido)propyl]urea
SMILESCS(=O)(=O)NCCCNC(=O)Nc1ccc(N)cc1
InChIInChI=1S/C11H18N4O3S/c1-19(17,18)14-8-2-7-13-11(16)15-10-5-3-9(12)4-6-10/h3-6,14H,2,7-8,12H2,1H3,(H2,13,15,16)
InChIKeyBGIBXZYRMNFJHH-UHFFFAOYSA-N
XLogP0.33
TPSA113.32 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 50.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(4-aminophenyl)-3-butylurea
CID 28785616
1-(4-acetylphenyl)-3-[2-(methanesulfonamido)ethyl]urea
CID 47022405
1-(4-aminophenyl)-3-(3-ethoxypropyl)urea
CID 43469047
1-(3-hydroxypropyl)-3-[4-(methanesulfonamido)phenyl]urea
CID 108875286
1-(4-aminophenyl)-3-[4-(methanesulfonamido)phenyl]urea
CID 108875138
1-(4-aminophenyl)-3-(2-chloroethyl)urea
CID 108896976
1-(4-aminophenyl)-3-[2-(carbamoylamino)ethyl]urea
CID 83121373
1-(4-aminophenyl)-3-(3-pyrrolidin-1-ylpropyl)urea
CID 62991029
ethyl 4-[2-(methanesulfonamido)ethylcarbamoylamino]benzoate
CID 74241298
3-(4-aminophenoxy)-N-[3-(methanesulfonamido)propyl]propanamide
CID 106332599
1-(4-aminophenyl)-3-(4-phenylbutyl)urea
CID 108897090
1-(4-methylphenyl)-3-(3-sulfamoylpropyl)urea
CID 61131417

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-3-[3-(methanesulfonamido)propyl]urea?
The IUPAC name of 1-(4-aminophenyl)-3-[3-(methanesulfonamido)propyl]urea (CID 106340062) is 1-(4-aminophenyl)-3-[3-(methanesulfonamido)propyl]urea.
What is the SMILES notation for 1-(4-aminophenyl)-3-[3-(methanesulfonamido)propyl]urea?
The canonical SMILES for 1-(4-aminophenyl)-3-[3-(methanesulfonamido)propyl]urea is CS(=O)(=O)NCCCNC(=O)Nc1ccc(N)cc1.
What is the InChIKey of 1-(4-aminophenyl)-3-[3-(methanesulfonamido)propyl]urea?
The InChIKey is BGIBXZYRMNFJHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3S/c1-19(17,18)14-8-2-7-13-11(16)15-10-5-3-9(12)4-6-10/h3-6,14H,2,7-8,12H2,1H3,(H2,13,15,16).
What are the key properties of 1-(4-aminophenyl)-3-[3-(methanesulfonamido)propyl]urea?
1-(4-aminophenyl)-3-[3-(methanesulfonamido)propyl]urea has a molecular weight of 286.36 g/mol, XLogP of 0.33, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-3-[3-(methanesulfonamido)propyl]urea is sourced from PubChem (CID 106340062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).