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

C14H15N3O4S — CID 108875136

IUPAC1-(3-hydroxyphenyl)-3-[4-(methanesulfonamido)phenyl]urea
SMILESCS(=O)(=O)Nc1ccc(NC(=O)Nc2cccc(O)c2)cc1
InChIInChI=1S/C14H15N3O4S/c1-22(20,21)17-11-7-5-10(6-8-11)15-14(19)16-12-3-2-4-13(18)9-12/h2-9,17-18H,1H3,(H2,15,16,19)
InChIKeyGQUIFWOZUYEXLZ-UHFFFAOYSA-N
MW321.36 g/mol
LogP2.41
Rot. Bonds4

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

1-(3-hydroxyphenyl)-3-[4-(methanesulfonamido)phenyl]urea (PubChem CID 108875136) has the molecular formula C14H15N3O4S and a molecular weight of 321.36 g/mol. Its IUPAC name is 1-(3-hydroxyphenyl)-3-[4-(methanesulfonamido)phenyl]urea.

Molecular Properties

Compound Name1-(3-hydroxyphenyl)-3-[4-(methanesulfonamido)phenyl]urea
PubChem CID108875136
Molecular FormulaC14H15N3O4S
Molecular Weight321.36 g/mol
Exact Mass321.08
IUPAC Name1-(3-hydroxyphenyl)-3-[4-(methanesulfonamido)phenyl]urea
SMILESCS(=O)(=O)Nc1ccc(NC(=O)Nc2cccc(O)c2)cc1
InChIInChI=1S/C14H15N3O4S/c1-22(20,21)17-11-7-5-10(6-8-11)15-14(19)16-12-3-2-4-13(18)9-12/h2-9,17-18H,1H3,(H2,15,16,19)
InChIKeyGQUIFWOZUYEXLZ-UHFFFAOYSA-N
XLogP2.41
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 52.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(3-hydroxyphenyl)carbamoylamino]phenyl]acetamide
CID 108895676
1-(4-aminophenyl)-3-[4-(methanesulfonamido)phenyl]urea
CID 108875138
1-(4-acetylphenyl)-3-[4-(methanesulfonamido)phenyl]urea
CID 108875225
1-(3-chloro-4-fluorophenyl)-3-[4-(methanesulfonamido)phenyl]urea
CID 108875348
1-amino-3-(3-hydroxyphenyl)urea
CID 23273555
1-(3-hydroxyphenyl)-3-(6-methyl-3-pyridinyl)urea
CID 108895931
1-(3-hydroxyphenyl)-3-pyrimidin-2-ylurea
CID 108895771
N-[4-[(3-hydroxyphenyl)sulfonylamino]phenyl]acetamide
CID 81264893
1-(4-chloro-3-nitrophenyl)-3-[4-(methanesulfonamido)phenyl]urea
CID 108875215
1-(3-hydroxyphenyl)-3-(4-iodo-2-methylphenyl)urea
CID 108895747
1-[3-(dimethylsulfamoyl)phenyl]-3-(4-hydroxyphenyl)urea
CID 122150681
4-acetamido-N-(3-hydroxyphenyl)benzamide
CID 110463964

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxyphenyl)-3-[4-(methanesulfonamido)phenyl]urea?
The IUPAC name of 1-(3-hydroxyphenyl)-3-[4-(methanesulfonamido)phenyl]urea (CID 108875136) is 1-(3-hydroxyphenyl)-3-[4-(methanesulfonamido)phenyl]urea.
What is the SMILES notation for 1-(3-hydroxyphenyl)-3-[4-(methanesulfonamido)phenyl]urea?
The canonical SMILES for 1-(3-hydroxyphenyl)-3-[4-(methanesulfonamido)phenyl]urea is CS(=O)(=O)Nc1ccc(NC(=O)Nc2cccc(O)c2)cc1.
What is the InChIKey of 1-(3-hydroxyphenyl)-3-[4-(methanesulfonamido)phenyl]urea?
The InChIKey is GQUIFWOZUYEXLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4S/c1-22(20,21)17-11-7-5-10(6-8-11)15-14(19)16-12-3-2-4-13(18)9-12/h2-9,17-18H,1H3,(H2,15,16,19).
What are the key properties of 1-(3-hydroxyphenyl)-3-[4-(methanesulfonamido)phenyl]urea?
1-(3-hydroxyphenyl)-3-[4-(methanesulfonamido)phenyl]urea has a molecular weight of 321.36 g/mol, XLogP of 2.41, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxyphenyl)-3-[4-(methanesulfonamido)phenyl]urea is sourced from PubChem (CID 108875136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).