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

C14H16N4O3S — CID 108875138

IUPAC1-(4-aminophenyl)-3-[4-(methanesulfonamido)phenyl]urea
SMILESCS(=O)(=O)Nc1ccc(NC(=O)Nc2ccc(N)cc2)cc1
InChIInChI=1S/C14H16N4O3S/c1-22(20,21)18-13-8-6-12(7-9-13)17-14(19)16-11-4-2-10(15)3-5-11/h2-9,18H,15H2,1H3,(H2,16,17,19)
InChIKeyHPBJMEYXHNHFSV-UHFFFAOYSA-N
MW320.37 g/mol
LogP2.28
Rot. Bonds4

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

1-(4-aminophenyl)-3-[4-(methanesulfonamido)phenyl]urea (PubChem CID 108875138) has the molecular formula C14H16N4O3S and a molecular weight of 320.37 g/mol. Its IUPAC name is 1-(4-aminophenyl)-3-[4-(methanesulfonamido)phenyl]urea.

Molecular Properties

Compound Name1-(4-aminophenyl)-3-[4-(methanesulfonamido)phenyl]urea
PubChem CID108875138
Molecular FormulaC14H16N4O3S
Molecular Weight320.37 g/mol
Exact Mass320.09
IUPAC Name1-(4-aminophenyl)-3-[4-(methanesulfonamido)phenyl]urea
SMILESCS(=O)(=O)Nc1ccc(NC(=O)Nc2ccc(N)cc2)cc1
InChIInChI=1S/C14H16N4O3S/c1-22(20,21)18-13-8-6-12(7-9-13)17-14(19)16-11-4-2-10(15)3-5-11/h2-9,18H,15H2,1H3,(H2,16,17,19)
InChIKeyHPBJMEYXHNHFSV-UHFFFAOYSA-N
XLogP2.28
TPSA113.32 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 52.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-[[4-(methanesulfonamido)phenyl]carbamoyl]benzamide
CID 108875346
1-(4-acetylphenyl)-3-[4-(methanesulfonamido)phenyl]urea
CID 108875225
1-(2-amino-5-methylphenyl)-3-[4-(methanesulfonamido)phenyl]urea
CID 108875405
1-(3-hydroxyphenyl)-3-[4-(methanesulfonamido)phenyl]urea
CID 108875136
1-(4-aminophenyl)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]urea
CID 166423475
1-(4-aminophenyl)-3-[3-(methanesulfonamido)propyl]urea
CID 106340062
1-(3-chloro-4-fluorophenyl)-3-[4-(methanesulfonamido)phenyl]urea
CID 108875348
1-(4-aminophenyl)-3-(4-bromophenyl)urea
CID 43469017
aniline;N-phenylmethanesulfonamide
CID 157318284
N-(4-aminophenyl)-2-methylsulfonylacetamide
CID 61025052
methyl 2-[[4-(methanesulfonamido)phenyl]carbamoylamino]acetate
CID 108875415
1-(3-hydroxypropyl)-3-[4-(methanesulfonamido)phenyl]urea
CID 108875286

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-3-[4-(methanesulfonamido)phenyl]urea?
The IUPAC name of 1-(4-aminophenyl)-3-[4-(methanesulfonamido)phenyl]urea (CID 108875138) is 1-(4-aminophenyl)-3-[4-(methanesulfonamido)phenyl]urea.
What is the SMILES notation for 1-(4-aminophenyl)-3-[4-(methanesulfonamido)phenyl]urea?
The canonical SMILES for 1-(4-aminophenyl)-3-[4-(methanesulfonamido)phenyl]urea is CS(=O)(=O)Nc1ccc(NC(=O)Nc2ccc(N)cc2)cc1.
What is the InChIKey of 1-(4-aminophenyl)-3-[4-(methanesulfonamido)phenyl]urea?
The InChIKey is HPBJMEYXHNHFSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3S/c1-22(20,21)18-13-8-6-12(7-9-13)17-14(19)16-11-4-2-10(15)3-5-11/h2-9,18H,15H2,1H3,(H2,16,17,19).
What are the key properties of 1-(4-aminophenyl)-3-[4-(methanesulfonamido)phenyl]urea?
1-(4-aminophenyl)-3-[4-(methanesulfonamido)phenyl]urea has a molecular weight of 320.37 g/mol, XLogP of 2.28, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-3-[4-(methanesulfonamido)phenyl]urea is sourced from PubChem (CID 108875138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).