N-(3-bromophenyl)-3-methylbutane-1-sulfonamide

C11H16BrNO2S — CID 63362334

IUPACN-(3-bromophenyl)-3-methylbutane-1-sulfonamide
SMILESCC(C)CCS(=O)(=O)Nc1cccc(Br)c1
InChIInChI=1S/C11H16BrNO2S/c1-9(2)6-7-16(14,15)13-11-5-3-4-10(12)8-11/h3-5,8-9,13H,6-7H2,1-2H3
InChIKeyVOIFBTIFJQSXRY-UHFFFAOYSA-N
MW306.23 g/mol
LogP3.24
Rot. Bonds5

About N-(3-bromophenyl)-3-methylbutane-1-sulfonamide

N-(3-bromophenyl)-3-methylbutane-1-sulfonamide (PubChem CID 63362334) has the molecular formula C11H16BrNO2S and a molecular weight of 306.23 g/mol. Its IUPAC name is N-(3-bromophenyl)-3-methylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-3-methylbutane-1-sulfonamide
PubChem CID63362334
Molecular FormulaC11H16BrNO2S
Molecular Weight306.23 g/mol
Exact Mass305.01
IUPAC NameN-(3-bromophenyl)-3-methylbutane-1-sulfonamide
SMILESCC(C)CCS(=O)(=O)Nc1cccc(Br)c1
InChIInChI=1S/C11H16BrNO2S/c1-9(2)6-7-16(14,15)13-11-5-3-4-10(12)8-11/h3-5,8-9,13H,6-7H2,1-2H3
InChIKeyVOIFBTIFJQSXRY-UHFFFAOYSA-N
XLogP3.24
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.23
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(3-bromopropyl)phenyl]-3-methylbutane-1-sulfonamide
CID 113397929
3-bromo-N-(2-methylpropylsulfamoyl)aniline
CID 114815403
N-[(3-bromophenyl)methyl]-3-methylbutane-1-sulfonamide
CID 63373516
3-bromo-N-[(3-bromophenyl)sulfamoyl]aniline
CID 132513071
N-(3-bromophenyl)-2-phenoxyethanesulfonamide
CID 56764854
N-[4-(aminomethyl)phenyl]-3-methylbutane-1-sulfonamide
CID 63834583
N-(3,4-dicyanophenyl)-3-methylbutane-1-sulfonamide
CID 107796552
N-(3-bromophenyl)-3-(cyclopropylamino)propane-1-sulfonamide
CID 106061607
1-bromo-3-(sulfamoylamino)benzene
CID 24707479
3-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)butane-1-sulfonamide
CID 63901962
3-bromo-N-(tert-butylsulfamoyl)aniline
CID 104516899
4-[(3-bromophenyl)sulfamoylmethyl]benzoic acid
CID 43362486

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-3-methylbutane-1-sulfonamide?
The IUPAC name of N-(3-bromophenyl)-3-methylbutane-1-sulfonamide (CID 63362334) is N-(3-bromophenyl)-3-methylbutane-1-sulfonamide.
What is the SMILES notation for N-(3-bromophenyl)-3-methylbutane-1-sulfonamide?
The canonical SMILES for N-(3-bromophenyl)-3-methylbutane-1-sulfonamide is CC(C)CCS(=O)(=O)Nc1cccc(Br)c1.
What is the InChIKey of N-(3-bromophenyl)-3-methylbutane-1-sulfonamide?
The InChIKey is VOIFBTIFJQSXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO2S/c1-9(2)6-7-16(14,15)13-11-5-3-4-10(12)8-11/h3-5,8-9,13H,6-7H2,1-2H3.
What are the key properties of N-(3-bromophenyl)-3-methylbutane-1-sulfonamide?
N-(3-bromophenyl)-3-methylbutane-1-sulfonamide has a molecular weight of 306.23 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-3-methylbutane-1-sulfonamide is sourced from PubChem (CID 63362334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).