1-(3-hydroxypropyl)-3-[4-(methanesulfonamido)phenyl]urea

C11H17N3O4S — CID 108875286

IUPAC1-(3-hydroxypropyl)-3-[4-(methanesulfonamido)phenyl]urea
SMILESCS(=O)(=O)Nc1ccc(NC(=O)NCCCO)cc1
InChIInChI=1S/C11H17N3O4S/c1-19(17,18)14-10-5-3-9(4-6-10)13-11(16)12-7-2-8-15/h3-6,14-15H,2,7-8H2,1H3,(H2,12,13,16)
InChIKeyMOONWWSYOWHETD-UHFFFAOYSA-N
MW287.34 g/mol
LogP0.56
Rot. Bonds6

About 1-(3-hydroxypropyl)-3-[4-(methanesulfonamido)phenyl]urea

1-(3-hydroxypropyl)-3-[4-(methanesulfonamido)phenyl]urea (PubChem CID 108875286) has the molecular formula C11H17N3O4S and a molecular weight of 287.34 g/mol. Its IUPAC name is 1-(3-hydroxypropyl)-3-[4-(methanesulfonamido)phenyl]urea.

Molecular Properties

Compound Name1-(3-hydroxypropyl)-3-[4-(methanesulfonamido)phenyl]urea
PubChem CID108875286
Molecular FormulaC11H17N3O4S
Molecular Weight287.34 g/mol
Exact Mass287.09
IUPAC Name1-(3-hydroxypropyl)-3-[4-(methanesulfonamido)phenyl]urea
SMILESCS(=O)(=O)Nc1ccc(NC(=O)NCCCO)cc1
InChIInChI=1S/C11H17N3O4S/c1-19(17,18)14-10-5-3-9(4-6-10)13-11(16)12-7-2-8-15/h3-6,14-15H,2,7-8H2,1H3,(H2,12,13,16)
InChIKeyMOONWWSYOWHETD-UHFFFAOYSA-N
XLogP0.56
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 50.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[[4-(methanesulfonamido)phenyl]carbamoylamino]acetate
CID 108875415
1-benzyl-3-[4-(methanesulfonamido)phenyl]urea
CID 32521055
1-[4-(methanesulfonamido)phenyl]-3-[(4-methylphenyl)methyl]urea
CID 108875243
1-(4-aminophenyl)-3-[3-(methanesulfonamido)propyl]urea
CID 106340062
1-[4-(methanesulfonamido)phenyl]-3-(pyridin-4-ylmethyl)urea
CID 108875244
1-[2-(3-chlorophenyl)ethyl]-3-[4-(methanesulfonamido)phenyl]urea
CID 108875433
1-(4-aminophenyl)-3-[4-(methanesulfonamido)phenyl]urea
CID 108875138
N-[4-(3-hydroxypropyl)phenyl]methanesulfonamide
CID 67712691
1-(6-hydroxyhexyl)-3-(4-methoxyphenyl)urea
CID 103918690
1-(4-acetylphenyl)-3-[4-(methanesulfonamido)phenyl]urea
CID 108875225
1-tert-butyl-3-[3-[4-(methanesulfonamido)phenyl]propyl]urea
CID 110664447
1-(4-acetylphenyl)-3-[2-(methanesulfonamido)ethyl]urea
CID 47022405

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxypropyl)-3-[4-(methanesulfonamido)phenyl]urea?
The IUPAC name of 1-(3-hydroxypropyl)-3-[4-(methanesulfonamido)phenyl]urea (CID 108875286) is 1-(3-hydroxypropyl)-3-[4-(methanesulfonamido)phenyl]urea.
What is the SMILES notation for 1-(3-hydroxypropyl)-3-[4-(methanesulfonamido)phenyl]urea?
The canonical SMILES for 1-(3-hydroxypropyl)-3-[4-(methanesulfonamido)phenyl]urea is CS(=O)(=O)Nc1ccc(NC(=O)NCCCO)cc1.
What is the InChIKey of 1-(3-hydroxypropyl)-3-[4-(methanesulfonamido)phenyl]urea?
The InChIKey is MOONWWSYOWHETD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4S/c1-19(17,18)14-10-5-3-9(4-6-10)13-11(16)12-7-2-8-15/h3-6,14-15H,2,7-8H2,1H3,(H2,12,13,16).
What are the key properties of 1-(3-hydroxypropyl)-3-[4-(methanesulfonamido)phenyl]urea?
1-(3-hydroxypropyl)-3-[4-(methanesulfonamido)phenyl]urea has a molecular weight of 287.34 g/mol, XLogP of 0.56, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxypropyl)-3-[4-(methanesulfonamido)phenyl]urea is sourced from PubChem (CID 108875286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).