3-bromo-N-(tert-butylsulfamoyl)aniline

C10H15BrN2O2S — CID 104516899

IUPAC3-bromo-N-(tert-butylsulfamoyl)aniline
SMILESCC(C)(C)NS(=O)(=O)Nc1cccc(Br)c1
InChIInChI=1S/C10H15BrN2O2S/c1-10(2,3)13-16(14,15)12-9-6-4-5-8(11)7-9/h4-7,12-13H,1-3H3
InChIKeyRGOXERWQPWJSRH-UHFFFAOYSA-N
MW307.21 g/mol
LogP2.49
Rot. Bonds3

About 3-bromo-N-(tert-butylsulfamoyl)aniline

3-bromo-N-(tert-butylsulfamoyl)aniline (PubChem CID 104516899) has the molecular formula C10H15BrN2O2S and a molecular weight of 307.21 g/mol. Its IUPAC name is 3-bromo-N-(tert-butylsulfamoyl)aniline.

Molecular Properties

Compound Name3-bromo-N-(tert-butylsulfamoyl)aniline
PubChem CID104516899
Molecular FormulaC10H15BrN2O2S
Molecular Weight307.21 g/mol
Exact Mass306.00
IUPAC Name3-bromo-N-(tert-butylsulfamoyl)aniline
SMILESCC(C)(C)NS(=O)(=O)Nc1cccc(Br)c1
InChIInChI=1S/C10H15BrN2O2S/c1-10(2,3)13-16(14,15)12-9-6-4-5-8(11)7-9/h4-7,12-13H,1-3H3
InChIKeyRGOXERWQPWJSRH-UHFFFAOYSA-N
XLogP2.49
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.21
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-[(3-bromophenyl)sulfamoyl]aniline
CID 132513071
1-[3-(tert-butylsulfamoylamino)phenyl]ethanone
CID 113421750
3-bromo-N-(2-methylpropylsulfamoyl)aniline
CID 114815403
2-[3-(tert-butylsulfamoylamino)phenyl]acetic acid
CID 113421766
1-bromo-3-(sulfamoylamino)benzene
CID 24707479
N-(3-bromophenyl)-2-fluorobenzenesulfonamide
CID 4788445
N-(3-bromophenyl)-3-methylbutane-1-sulfonamide
CID 63362334
N-(3-bromophenyl)-3,5-bis(trifluoromethyl)benzenesulfonamide
CID 3372952
N-(3-bromophenyl)-2,6-dimethyl-4-(methylamino)benzenesulfonamide
CID 107328569
3-bromoaniline;N-(3-bromophenyl)methanesulfonamide;methanesulfonyl chloride
CID 159407379
N-(3-bromophenyl)-3,5-difluorobenzenesulfonamide
CID 26951692
N-(3-bromophenyl)-3-[4-(tert-butylsulfamoyl)phenyl]propanamide
CID 126268267

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(tert-butylsulfamoyl)aniline?
The IUPAC name of 3-bromo-N-(tert-butylsulfamoyl)aniline (CID 104516899) is 3-bromo-N-(tert-butylsulfamoyl)aniline.
What is the SMILES notation for 3-bromo-N-(tert-butylsulfamoyl)aniline?
The canonical SMILES for 3-bromo-N-(tert-butylsulfamoyl)aniline is CC(C)(C)NS(=O)(=O)Nc1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-(tert-butylsulfamoyl)aniline?
The InChIKey is RGOXERWQPWJSRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O2S/c1-10(2,3)13-16(14,15)12-9-6-4-5-8(11)7-9/h4-7,12-13H,1-3H3.
What are the key properties of 3-bromo-N-(tert-butylsulfamoyl)aniline?
3-bromo-N-(tert-butylsulfamoyl)aniline has a molecular weight of 307.21 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(tert-butylsulfamoyl)aniline is sourced from PubChem (CID 104516899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).