N-[(3-bromophenyl)methylsulfamoyl]aniline

C13H13BrN2O2S — CID 166696368

IUPACN-[(3-bromophenyl)methylsulfamoyl]aniline
SMILESO=S(=O)(NCc1cccc(Br)c1)Nc1ccccc1
InChIInChI=1S/C13H13BrN2O2S/c14-12-6-4-5-11(9-12)10-15-19(17,18)16-13-7-2-1-3-8-13/h1-9,15-16H,10H2
InChIKeyFGWMTRDRZFTGSQ-UHFFFAOYSA-N
MW341.23 g/mol
LogP2.90
Rot. Bonds5

About N-[(3-bromophenyl)methylsulfamoyl]aniline

N-[(3-bromophenyl)methylsulfamoyl]aniline (PubChem CID 166696368) has the molecular formula C13H13BrN2O2S and a molecular weight of 341.23 g/mol. Its IUPAC name is N-[(3-bromophenyl)methylsulfamoyl]aniline.

Molecular Properties

Compound NameN-[(3-bromophenyl)methylsulfamoyl]aniline
PubChem CID166696368
Molecular FormulaC13H13BrN2O2S
Molecular Weight341.23 g/mol
Exact Mass339.99
IUPAC NameN-[(3-bromophenyl)methylsulfamoyl]aniline
SMILESO=S(=O)(NCc1cccc(Br)c1)Nc1ccccc1
InChIInChI=1S/C13H13BrN2O2S/c14-12-6-4-5-11(9-12)10-15-19(17,18)16-13-7-2-1-3-8-13/h1-9,15-16H,10H2
InChIKeyFGWMTRDRZFTGSQ-UHFFFAOYSA-N
XLogP2.90
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.23
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-bromophenyl)methylsulfamoyl]acetic acid
CID 61401339
N-[(3-bromophenyl)methyl]aniline;hydrochloride
CID 69090735
3-bromo-N-[(3-bromophenyl)sulfamoyl]aniline
CID 132513071
N-[(3-bromophenyl)methyl]-1,1,1-trifluoromethanesulfonamide
CID 66604294
3-bromo-N-(2-methylpropylsulfamoyl)aniline
CID 114815403
2-amino-N-[(3-bromophenyl)methyl]ethanesulfonamide
CID 61410493
3-[(3-bromophenyl)methylsulfamoyl]benzoic acid
CID 61401315
N-[(3-bromophenyl)methyl]-3-methylbutane-1-sulfonamide
CID 63373516
4-amino-N-[(3-bromophenyl)methyl]butane-1-sulfonamide
CID 106018731
3-(ethylaminomethyl)-N-(ethylsulfamoyl)aniline
CID 114810494
3-(benzylsulfamoyl)-N-[(3-bromophenyl)methyl]benzamide
CID 55577848
5-bromo-4-[(3-bromophenyl)methylsulfamoyl]furan-2-carboxylic acid
CID 62830234

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methylsulfamoyl]aniline?
The IUPAC name of N-[(3-bromophenyl)methylsulfamoyl]aniline (CID 166696368) is N-[(3-bromophenyl)methylsulfamoyl]aniline.
What is the SMILES notation for N-[(3-bromophenyl)methylsulfamoyl]aniline?
The canonical SMILES for N-[(3-bromophenyl)methylsulfamoyl]aniline is O=S(=O)(NCc1cccc(Br)c1)Nc1ccccc1.
What is the InChIKey of N-[(3-bromophenyl)methylsulfamoyl]aniline?
The InChIKey is FGWMTRDRZFTGSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O2S/c14-12-6-4-5-11(9-12)10-15-19(17,18)16-13-7-2-1-3-8-13/h1-9,15-16H,10H2.
What are the key properties of N-[(3-bromophenyl)methylsulfamoyl]aniline?
N-[(3-bromophenyl)methylsulfamoyl]aniline has a molecular weight of 341.23 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methylsulfamoyl]aniline is sourced from PubChem (CID 166696368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).