[3-[(5-bromo-2-methylphenyl)sulfonylamino]phenyl]urea

C14H14BrN3O3S — CID 36511162

IUPAC[3-[(5-bromo-2-methylphenyl)sulfonylamino]phenyl]urea
SMILESCc1ccc(Br)cc1S(=O)(=O)Nc1cccc(NC(N)=O)c1
InChIInChI=1S/C14H14BrN3O3S/c1-9-5-6-10(15)7-13(9)22(20,21)18-12-4-2-3-11(8-12)17-14(16)19/h2-8,18H,1H3,(H3,16,17,19)
InChIKeyYPZIKKJWTZRRQU-UHFFFAOYSA-N
MW384.26 g/mol
LogP3.05
Rot. Bonds4

About [3-[(5-bromo-2-methylphenyl)sulfonylamino]phenyl]urea

[3-[(5-bromo-2-methylphenyl)sulfonylamino]phenyl]urea (PubChem CID 36511162) has the molecular formula C14H14BrN3O3S and a molecular weight of 384.26 g/mol. Its IUPAC name is [3-[(5-bromo-2-methylphenyl)sulfonylamino]phenyl]urea.

Molecular Properties

Compound Name[3-[(5-bromo-2-methylphenyl)sulfonylamino]phenyl]urea
PubChem CID36511162
Molecular FormulaC14H14BrN3O3S
Molecular Weight384.26 g/mol
Exact Mass382.99
IUPAC Name[3-[(5-bromo-2-methylphenyl)sulfonylamino]phenyl]urea
SMILESCc1ccc(Br)cc1S(=O)(=O)Nc1cccc(NC(N)=O)c1
InChIInChI=1S/C14H14BrN3O3S/c1-9-5-6-10(15)7-13(9)22(20,21)18-12-4-2-3-11(8-12)17-14(16)19/h2-8,18H,1H3,(H3,16,17,19)
InChIKeyYPZIKKJWTZRRQU-UHFFFAOYSA-N
XLogP3.05
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.26
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(5-bromo-2-methylphenyl)sulfonylamino]-N,N-dimethylbenzamide
CID 24629318
N-[3-[(2,5-dibromophenyl)sulfonylamino]phenyl]acetamide
CID 26952572
[3-[(2-bromophenyl)sulfonylamino]phenyl]urea
CID 36510716
3-[(3-bromophenyl)sulfamoyl]-4-methylbenzoate
CID 8822291
2-[(5-bromo-2-methylphenyl)sulfonylamino]benzamide
CID 17412326
N-[3-[(4-bromophenyl)sulfamoyl]-4-methylphenyl]-2-methylpropanamide
CID 25342391
(2S)-2-amino-3,3-dimethyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]butanamide
CID 119679340
5-bromo-2-methyl-N-(3,4,5-trifluorophenyl)benzenesulfonamide
CID 62813296
5-bromo-2-methyl-N-(4-propan-2-ylphenyl)benzenesulfonamide
CID 60661360
5-bromo-N-(2-fluoro-6-methylphenyl)-2-methylbenzenesulfonamide
CID 104705322
3-[(2-methylphenyl)sulfonylamino]benzamide
CID 63000187
5-bromo-N-[3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)phenyl]-2-methylbenzenesulfonamide
CID 24663048

Frequently Asked Questions

What is the IUPAC name of [3-[(5-bromo-2-methylphenyl)sulfonylamino]phenyl]urea?
The IUPAC name of [3-[(5-bromo-2-methylphenyl)sulfonylamino]phenyl]urea (CID 36511162) is [3-[(5-bromo-2-methylphenyl)sulfonylamino]phenyl]urea.
What is the SMILES notation for [3-[(5-bromo-2-methylphenyl)sulfonylamino]phenyl]urea?
The canonical SMILES for [3-[(5-bromo-2-methylphenyl)sulfonylamino]phenyl]urea is Cc1ccc(Br)cc1S(=O)(=O)Nc1cccc(NC(N)=O)c1.
What is the InChIKey of [3-[(5-bromo-2-methylphenyl)sulfonylamino]phenyl]urea?
The InChIKey is YPZIKKJWTZRRQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O3S/c1-9-5-6-10(15)7-13(9)22(20,21)18-12-4-2-3-11(8-12)17-14(16)19/h2-8,18H,1H3,(H3,16,17,19).
What are the key properties of [3-[(5-bromo-2-methylphenyl)sulfonylamino]phenyl]urea?
[3-[(5-bromo-2-methylphenyl)sulfonylamino]phenyl]urea has a molecular weight of 384.26 g/mol, XLogP of 3.05, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(5-bromo-2-methylphenyl)sulfonylamino]phenyl]urea is sourced from PubChem (CID 36511162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).