[3-[(2-bromophenyl)sulfonylamino]phenyl]urea

C13H12BrN3O3S — CID 36510716

IUPAC[3-[(2-bromophenyl)sulfonylamino]phenyl]urea
SMILESNC(=O)Nc1cccc(NS(=O)(=O)c2ccccc2Br)c1
InChIInChI=1S/C13H12BrN3O3S/c14-11-6-1-2-7-12(11)21(19,20)17-10-5-3-4-9(8-10)16-13(15)18/h1-8,17H,(H3,15,16,18)
InChIKeyDFEVKHNHUXPECT-UHFFFAOYSA-N
MW370.23 g/mol
LogP2.74
Rot. Bonds4

About [3-[(2-bromophenyl)sulfonylamino]phenyl]urea

[3-[(2-bromophenyl)sulfonylamino]phenyl]urea (PubChem CID 36510716) has the molecular formula C13H12BrN3O3S and a molecular weight of 370.23 g/mol. Its IUPAC name is [3-[(2-bromophenyl)sulfonylamino]phenyl]urea.

Molecular Properties

Compound Name[3-[(2-bromophenyl)sulfonylamino]phenyl]urea
PubChem CID36510716
Molecular FormulaC13H12BrN3O3S
Molecular Weight370.23 g/mol
Exact Mass368.98
IUPAC Name[3-[(2-bromophenyl)sulfonylamino]phenyl]urea
SMILESNC(=O)Nc1cccc(NS(=O)(=O)c2ccccc2Br)c1
InChIInChI=1S/C13H12BrN3O3S/c14-11-6-1-2-7-12(11)21(19,20)17-10-5-3-4-9(8-10)16-13(15)18/h1-8,17H,(H3,15,16,18)
InChIKeyDFEVKHNHUXPECT-UHFFFAOYSA-N
XLogP2.74
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.23
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[(2-bromophenyl)sulfonylamino]phenyl]-3-methylurea
CID 36512082
[3-[(5-bromo-2-methylphenyl)sulfonylamino]phenyl]urea
CID 36511162
N-[3-(aminomethyl)phenyl]-2-bromobenzenesulfonamide
CID 63254732
ethyl 3-[(2-bromophenyl)sulfonylamino]benzoate
CID 8823790
N-[3-[(2,5-dibromophenyl)sulfonylamino]phenyl]acetamide
CID 26952572
[3-[(4-chloro-2-fluorophenyl)sulfonylamino]phenyl]urea
CID 36510536
2-bromo-N-(3-nitrophenyl)benzenesulfonamide
CID 26952317
2-bromo-N-(2,6-dibromophenyl)benzenesulfonamide
CID 107602704
2-[(2-bromophenyl)sulfonylamino]benzamide
CID 17391161
N-[4-[(2-bromophenyl)sulfonylamino]phenyl]cyclopropanecarboxamide
CID 17459656
N-(2,1,3-benzothiadiazol-4-yl)-3-[(2-bromophenyl)sulfonylamino]benzamide
CID 46393977
2-[(2-bromophenyl)sulfonylamino]-N-(3-fluorophenyl)acetamide
CID 9412386

Frequently Asked Questions

What is the IUPAC name of [3-[(2-bromophenyl)sulfonylamino]phenyl]urea?
The IUPAC name of [3-[(2-bromophenyl)sulfonylamino]phenyl]urea (CID 36510716) is [3-[(2-bromophenyl)sulfonylamino]phenyl]urea.
What is the SMILES notation for [3-[(2-bromophenyl)sulfonylamino]phenyl]urea?
The canonical SMILES for [3-[(2-bromophenyl)sulfonylamino]phenyl]urea is NC(=O)Nc1cccc(NS(=O)(=O)c2ccccc2Br)c1.
What is the InChIKey of [3-[(2-bromophenyl)sulfonylamino]phenyl]urea?
The InChIKey is DFEVKHNHUXPECT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN3O3S/c14-11-6-1-2-7-12(11)21(19,20)17-10-5-3-4-9(8-10)16-13(15)18/h1-8,17H,(H3,15,16,18).
What are the key properties of [3-[(2-bromophenyl)sulfonylamino]phenyl]urea?
[3-[(2-bromophenyl)sulfonylamino]phenyl]urea has a molecular weight of 370.23 g/mol, XLogP of 2.74, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-bromophenyl)sulfonylamino]phenyl]urea is sourced from PubChem (CID 36510716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).