1-(2-amino-5-methylphenyl)-3-[4-(methanesulfonamido)phenyl]urea

C15H18N4O3S — CID 108875405

IUPAC1-(2-amino-5-methylphenyl)-3-[4-(methanesulfonamido)phenyl]urea
SMILESCc1ccc(N)c(NC(=O)Nc2ccc(NS(C)(=O)=O)cc2)c1
InChIInChI=1S/C15H18N4O3S/c1-10-3-8-13(16)14(9-10)18-15(20)17-11-4-6-12(7-5-11)19-23(2,21)22/h3-9,19H,16H2,1-2H3,(H2,17,18,20)
InChIKeyXYBWQADVFRGWDS-UHFFFAOYSA-N
MW334.40 g/mol
LogP2.59
Rot. Bonds4

About 1-(2-amino-5-methylphenyl)-3-[4-(methanesulfonamido)phenyl]urea

1-(2-amino-5-methylphenyl)-3-[4-(methanesulfonamido)phenyl]urea (PubChem CID 108875405) has the molecular formula C15H18N4O3S and a molecular weight of 334.40 g/mol. Its IUPAC name is 1-(2-amino-5-methylphenyl)-3-[4-(methanesulfonamido)phenyl]urea.

Molecular Properties

Compound Name1-(2-amino-5-methylphenyl)-3-[4-(methanesulfonamido)phenyl]urea
PubChem CID108875405
Molecular FormulaC15H18N4O3S
Molecular Weight334.40 g/mol
Exact Mass334.11
IUPAC Name1-(2-amino-5-methylphenyl)-3-[4-(methanesulfonamido)phenyl]urea
SMILESCc1ccc(N)c(NC(=O)Nc2ccc(NS(C)(=O)=O)cc2)c1
InChIInChI=1S/C15H18N4O3S/c1-10-3-8-13(16)14(9-10)18-15(20)17-11-4-6-12(7-5-11)19-23(2,21)22/h3-9,19H,16H2,1-2H3,(H2,17,18,20)
InChIKeyXYBWQADVFRGWDS-UHFFFAOYSA-N
XLogP2.59
TPSA113.32 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 52.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-amino-5-methylphenyl)-3-(4-aminophenyl)urea
CID 108897070
1-(4-aminophenyl)-3-[4-(methanesulfonamido)phenyl]urea
CID 108875138
N'-(2-amino-5-methylphenyl)-N-(4-hydroxyphenyl)oxamide
CID 108502143
1-(2-amino-5-methylphenyl)-3-propan-2-ylurea
CID 112557564
1-(4-acetylphenyl)-3-[4-(methanesulfonamido)phenyl]urea
CID 108875225
1-(2-amino-5-methylphenyl)-3-(2,3,4-trifluorophenyl)urea
CID 108892628
1-[4-(methanesulfonamido)phenyl]-3-[(4-methylphenyl)methyl]urea
CID 108875243
N'-(2-amino-5-methylphenyl)-N-(4-tert-butylphenyl)oxamide
CID 108529851
1-(3-hydroxyphenyl)-3-[4-(methanesulfonamido)phenyl]urea
CID 108875136
1,3-bis[4-[(2,5-dimethylphenyl)sulfonylamino]phenyl]urea
CID 170548873
1-(2-amino-5-methylphenyl)-3-propylurea
CID 112557559
1-(2-amino-5-methylphenyl)-3-(2-methoxyphenyl)urea
CID 108866574

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-methylphenyl)-3-[4-(methanesulfonamido)phenyl]urea?
The IUPAC name of 1-(2-amino-5-methylphenyl)-3-[4-(methanesulfonamido)phenyl]urea (CID 108875405) is 1-(2-amino-5-methylphenyl)-3-[4-(methanesulfonamido)phenyl]urea.
What is the SMILES notation for 1-(2-amino-5-methylphenyl)-3-[4-(methanesulfonamido)phenyl]urea?
The canonical SMILES for 1-(2-amino-5-methylphenyl)-3-[4-(methanesulfonamido)phenyl]urea is Cc1ccc(N)c(NC(=O)Nc2ccc(NS(C)(=O)=O)cc2)c1.
What is the InChIKey of 1-(2-amino-5-methylphenyl)-3-[4-(methanesulfonamido)phenyl]urea?
The InChIKey is XYBWQADVFRGWDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3S/c1-10-3-8-13(16)14(9-10)18-15(20)17-11-4-6-12(7-5-11)19-23(2,21)22/h3-9,19H,16H2,1-2H3,(H2,17,18,20).
What are the key properties of 1-(2-amino-5-methylphenyl)-3-[4-(methanesulfonamido)phenyl]urea?
1-(2-amino-5-methylphenyl)-3-[4-(methanesulfonamido)phenyl]urea has a molecular weight of 334.40 g/mol, XLogP of 2.59, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-methylphenyl)-3-[4-(methanesulfonamido)phenyl]urea is sourced from PubChem (CID 108875405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).