1-(4-bromophenyl)-3-[[(4-methylphenyl)sulfonylamino]methyl]urea

C15H16BrN3O3S — CID 19133960

IUPAC1-(4-bromophenyl)-3-[[(4-methylphenyl)sulfonylamino]methyl]urea
SMILESCc1ccc(S(=O)(=O)NCNC(=O)Nc2ccc(Br)cc2)cc1
InChIInChI=1S/C15H16BrN3O3S/c1-11-2-8-14(9-3-11)23(21,22)18-10-17-15(20)19-13-6-4-12(16)5-7-13/h2-9,18H,10H2,1H3,(H2,17,19,20)
InChIKeyMJNIKSIWLNRNQP-UHFFFAOYSA-N
MW398.28 g/mol
LogP2.82
Rot. Bonds5

About 1-(4-bromophenyl)-3-[[(4-methylphenyl)sulfonylamino]methyl]urea

1-(4-bromophenyl)-3-[[(4-methylphenyl)sulfonylamino]methyl]urea (PubChem CID 19133960) has the molecular formula C15H16BrN3O3S and a molecular weight of 398.28 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-[[(4-methylphenyl)sulfonylamino]methyl]urea.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-[[(4-methylphenyl)sulfonylamino]methyl]urea
PubChem CID19133960
Molecular FormulaC15H16BrN3O3S
Molecular Weight398.28 g/mol
Exact Mass397.01
IUPAC Name1-(4-bromophenyl)-3-[[(4-methylphenyl)sulfonylamino]methyl]urea
SMILESCc1ccc(S(=O)(=O)NCNC(=O)Nc2ccc(Br)cc2)cc1
InChIInChI=1S/C15H16BrN3O3S/c1-11-2-8-14(9-3-11)23(21,22)18-10-17-15(20)19-13-6-4-12(16)5-7-13/h2-9,18H,10H2,1H3,(H2,17,19,20)
InChIKeyMJNIKSIWLNRNQP-UHFFFAOYSA-N
XLogP2.82
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.28
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-(4-bromophenyl)-3-[[(4-methylphenyl)sulfonylamino]methyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[(4-bromophenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonamide
CID 31836630
N-(4-acetamidophenyl)-2-[(4-bromophenyl)sulfonylamino]acetamide
CID 1316272
(2R)-N-(4-bromophenyl)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide
CID 1274947
N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-4-methylbenzamide
CID 1333667
N-[(4-bromophenyl)methyl]-4-methylbenzenesulfonamide
CID 3370668
N-(4-bromophenyl)-2-[(4-ethylphenyl)sulfonylamino]acetamide
CID 112998475
1-[2-[2-[(4-methylphenyl)sulfonylamino]ethyl-[2-[(4-nitrophenyl)carbamoylamino]ethyl]amino]ethyl]-3-(4-nitrophenyl)urea
CID 136777572
1-[4-[[(4-bromophenyl)sulfonylamino]methyl]phenyl]-3-propan-2-ylurea
CID 39666103
1-(methoxymethyl)-3-(4-methylphenyl)urea
CID 110675978
1-(4-methylphenyl)sulfonyl-3-[4-[4-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl]sulfonylphenyl]urea
CID 19387730
1-(4-bromophenyl)-3-(2-methoxyethoxymethyl)urea
CID 108894240
N-[4-[(4-methylphenyl)methylsulfamoyl]phenyl]acetamide
CID 669174

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-[[(4-methylphenyl)sulfonylamino]methyl]urea?
The IUPAC name of 1-(4-bromophenyl)-3-[[(4-methylphenyl)sulfonylamino]methyl]urea (CID 19133960) is 1-(4-bromophenyl)-3-[[(4-methylphenyl)sulfonylamino]methyl]urea.
What is the SMILES notation for 1-(4-bromophenyl)-3-[[(4-methylphenyl)sulfonylamino]methyl]urea?
The canonical SMILES for 1-(4-bromophenyl)-3-[[(4-methylphenyl)sulfonylamino]methyl]urea is Cc1ccc(S(=O)(=O)NCNC(=O)Nc2ccc(Br)cc2)cc1.
What is the InChIKey of 1-(4-bromophenyl)-3-[[(4-methylphenyl)sulfonylamino]methyl]urea?
The InChIKey is MJNIKSIWLNRNQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O3S/c1-11-2-8-14(9-3-11)23(21,22)18-10-17-15(20)19-13-6-4-12(16)5-7-13/h2-9,18H,10H2,1H3,(H2,17,19,20).
What are the key properties of 1-(4-bromophenyl)-3-[[(4-methylphenyl)sulfonylamino]methyl]urea?
1-(4-bromophenyl)-3-[[(4-methylphenyl)sulfonylamino]methyl]urea has a molecular weight of 398.28 g/mol, XLogP of 2.82, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-[[(4-methylphenyl)sulfonylamino]methyl]urea is sourced from PubChem (CID 19133960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).