1-(4-bromophenyl)-N-[(2S)-butan-2-yl]methanesulfonamide

C11H16BrNO2S — CID 27210546

IUPAC1-(4-bromophenyl)-N-[(2S)-butan-2-yl]methanesulfonamide
SMILESCC[C@H](C)NS(=O)(=O)Cc1ccc(Br)cc1
InChIInChI=1S/C11H16BrNO2S/c1-3-9(2)13-16(14,15)8-10-4-6-11(12)7-5-10/h4-7,9,13H,3,8H2,1-2H3/t9-/m0/s1
InChIKeyNBNRNESURFOFMR-VIFPVBQESA-N
MW306.23 g/mol
LogP2.67
Rot. Bonds5

About 1-(4-bromophenyl)-N-[(2S)-butan-2-yl]methanesulfonamide

1-(4-bromophenyl)-N-[(2S)-butan-2-yl]methanesulfonamide (PubChem CID 27210546) has the molecular formula C11H16BrNO2S and a molecular weight of 306.23 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-[(2S)-butan-2-yl]methanesulfonamide.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-[(2S)-butan-2-yl]methanesulfonamide
PubChem CID27210546
Molecular FormulaC11H16BrNO2S
Molecular Weight306.23 g/mol
Exact Mass305.01
IUPAC Name1-(4-bromophenyl)-N-[(2S)-butan-2-yl]methanesulfonamide
SMILESCC[C@H](C)NS(=O)(=O)Cc1ccc(Br)cc1
InChIInChI=1S/C11H16BrNO2S/c1-3-9(2)13-16(14,15)8-10-4-6-11(12)7-5-10/h4-7,9,13H,3,8H2,1-2H3/t9-/m0/s1
InChIKeyNBNRNESURFOFMR-VIFPVBQESA-N
XLogP2.67
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 ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-[(2S)-butan-2-yl]methanesulfonamide?
The IUPAC name of 1-(4-bromophenyl)-N-[(2S)-butan-2-yl]methanesulfonamide (CID 27210546) is 1-(4-bromophenyl)-N-[(2S)-butan-2-yl]methanesulfonamide.
What is the SMILES notation for 1-(4-bromophenyl)-N-[(2S)-butan-2-yl]methanesulfonamide?
The canonical SMILES for 1-(4-bromophenyl)-N-[(2S)-butan-2-yl]methanesulfonamide is CC[C@H](C)NS(=O)(=O)Cc1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-N-[(2S)-butan-2-yl]methanesulfonamide?
The InChIKey is NBNRNESURFOFMR-VIFPVBQESA-N. The full InChI is InChI=1S/C11H16BrNO2S/c1-3-9(2)13-16(14,15)8-10-4-6-11(12)7-5-10/h4-7,9,13H,3,8H2,1-2H3/t9-/m0/s1.
What are the key properties of 1-(4-bromophenyl)-N-[(2S)-butan-2-yl]methanesulfonamide?
1-(4-bromophenyl)-N-[(2S)-butan-2-yl]methanesulfonamide has a molecular weight of 306.23 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-[(2S)-butan-2-yl]methanesulfonamide is sourced from PubChem (CID 27210546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).