1-bromo-3-(sulfamoylamino)benzene

C6H7BrN2O2S — CID 24707479

IUPAC1-bromo-3-(sulfamoylamino)benzene
SMILESNS(=O)(=O)Nc1cccc(Br)c1
InChIInChI=1S/C6H7BrN2O2S/c7-5-2-1-3-6(4-5)9-12(8,10)11/h1-4,9H,(H2,8,10,11)
InChIKeyFMEDIKFZXOFJRT-UHFFFAOYSA-N
MW251.11 g/mol
LogP1.06
Rot. Bonds2

About 1-bromo-3-(sulfamoylamino)benzene

1-bromo-3-(sulfamoylamino)benzene (PubChem CID 24707479) has the molecular formula C6H7BrN2O2S and a molecular weight of 251.11 g/mol. Its IUPAC name is 1-bromo-3-(sulfamoylamino)benzene.

Molecular Properties

Compound Name1-bromo-3-(sulfamoylamino)benzene
PubChem CID24707479
Molecular FormulaC6H7BrN2O2S
Molecular Weight251.11 g/mol
Exact Mass249.94
IUPAC Name1-bromo-3-(sulfamoylamino)benzene
SMILESNS(=O)(=O)Nc1cccc(Br)c1
InChIInChI=1S/C6H7BrN2O2S/c7-5-2-1-3-6(4-5)9-12(8,10)11/h1-4,9H,(H2,8,10,11)
InChIKeyFMEDIKFZXOFJRT-UHFFFAOYSA-N
XLogP1.06
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.11
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-[(3-bromophenyl)sulfamoyl]aniline
CID 132513071
3-(sulfamoylamino)benzamide
CID 57051238
1-fluoro-3-(sulfamoylamino)benzene
CID 112573204
benzene;(sulfamoylamino)benzene
CID 174742453
3-bromo-N-(tert-butylsulfamoyl)aniline
CID 104516899
1-(2,2-dimethylpropylamino)-3-(sulfamoylamino)benzene
CID 61323721
3-bromoaniline;N-(3-bromophenyl)methanesulfonamide;methanesulfonyl chloride
CID 159407379
4-amino-N-(3-bromophenyl)-2,6-dichlorobenzenesulfonamide
CID 43257573
N-(3-bromophenyl)-3,5-difluorobenzenesulfonamide
CID 26951692
3-bromo-N-[3-(sulfamoylamino)phenyl]thiophene-2-sulfonamide
CID 61062460
2-amino-N-(3-bromophenyl)-3-fluorobenzenesulfonamide
CID 62057135
2-amino-N-(3-bromophenyl)-6-methylbenzenesulfonamide
CID 43452387

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-(sulfamoylamino)benzene?
The IUPAC name of 1-bromo-3-(sulfamoylamino)benzene (CID 24707479) is 1-bromo-3-(sulfamoylamino)benzene.
What is the SMILES notation for 1-bromo-3-(sulfamoylamino)benzene?
The canonical SMILES for 1-bromo-3-(sulfamoylamino)benzene is NS(=O)(=O)Nc1cccc(Br)c1.
What is the InChIKey of 1-bromo-3-(sulfamoylamino)benzene?
The InChIKey is FMEDIKFZXOFJRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrN2O2S/c7-5-2-1-3-6(4-5)9-12(8,10)11/h1-4,9H,(H2,8,10,11).
What are the key properties of 1-bromo-3-(sulfamoylamino)benzene?
1-bromo-3-(sulfamoylamino)benzene has a molecular weight of 251.11 g/mol, XLogP of 1.06, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-(sulfamoylamino)benzene is sourced from PubChem (CID 24707479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).