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

C10H14BrNO2S — CID 94145530

IUPACN-[(2S)-1-(4-bromophenyl)propan-2-yl]methanesulfonamide
SMILESC[C@@H](Cc1ccc(Br)cc1)NS(C)(=O)=O
InChIInChI=1S/C10H14BrNO2S/c1-8(12-15(2,13)14)7-9-3-5-10(11)6-4-9/h3-6,8,12H,7H2,1-2H3/t8-/m0/s1
InChIKeyKOLPUVJXGAHZHW-QMMMGPOBSA-N
MW292.20 g/mol
LogP1.93
Rot. Bonds4

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

N-[(2S)-1-(4-bromophenyl)propan-2-yl]methanesulfonamide (PubChem CID 94145530) has the molecular formula C10H14BrNO2S and a molecular weight of 292.20 g/mol. Its IUPAC name is N-[(2S)-1-(4-bromophenyl)propan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(2S)-1-(4-bromophenyl)propan-2-yl]methanesulfonamide
PubChem CID94145530
Molecular FormulaC10H14BrNO2S
Molecular Weight292.20 g/mol
Exact Mass290.99
IUPAC NameN-[(2S)-1-(4-bromophenyl)propan-2-yl]methanesulfonamide
SMILESC[C@@H](Cc1ccc(Br)cc1)NS(C)(=O)=O
InChIInChI=1S/C10H14BrNO2S/c1-8(12-15(2,13)14)7-9-3-5-10(11)6-4-9/h3-6,8,12H,7H2,1-2H3/t8-/m0/s1
InChIKeyKOLPUVJXGAHZHW-QMMMGPOBSA-N
XLogP1.93
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.20
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-[1-(4-bromophenyl)propan-2-yl]benzenesulfonamide
CID 61073522
[1-(4-bromophenyl)-3-methylsulfonylbutan-2-yl]hydrazine
CID 105284414
N-[1-(4-bromophenyl)propan-2-yl]-2-propan-2-ylsulfonylpropanamide
CID 51123377
N-[1-[4-(4-oxopentoxy)phenyl]propan-2-yl]methanesulfonamide
CID 20719717
N-[1-(4-bromophenyl)propan-2-yl]-1-methylsulfonylpiperidin-4-amine
CID 103779237
2-[1-(4-bromophenyl)propan-2-ylamino]propan-1-ol
CID 103522264
N-[3-[1-(4-bromophenyl)propan-2-ylamino]propyl]-N-ethylmethanesulfonamide
CID 103522177
3-[1-(4-bromophenyl)propan-2-ylamino]-3-oxopropanoic acid
CID 62230124
1-bromo-4-(2-bromopropyl)benzene
CID 63017795
(E)-N-[1-(4-bromophenyl)propan-2-yl]pent-3-en-1-amine
CID 103522298
(2R)-2-amino-N-[1-(4-bromophenyl)propan-2-yl]propanamide;hydrochloride
CID 119295652
1-bromo-N-(1-phenylpropan-2-yl)methanesulfonamide
CID 83085970

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(4-bromophenyl)propan-2-yl]methanesulfonamide?
The IUPAC name of N-[(2S)-1-(4-bromophenyl)propan-2-yl]methanesulfonamide (CID 94145530) is N-[(2S)-1-(4-bromophenyl)propan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[(2S)-1-(4-bromophenyl)propan-2-yl]methanesulfonamide?
The canonical SMILES for N-[(2S)-1-(4-bromophenyl)propan-2-yl]methanesulfonamide is C[C@@H](Cc1ccc(Br)cc1)NS(C)(=O)=O.
What is the InChIKey of N-[(2S)-1-(4-bromophenyl)propan-2-yl]methanesulfonamide?
The InChIKey is KOLPUVJXGAHZHW-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H14BrNO2S/c1-8(12-15(2,13)14)7-9-3-5-10(11)6-4-9/h3-6,8,12H,7H2,1-2H3/t8-/m0/s1.
What are the key properties of N-[(2S)-1-(4-bromophenyl)propan-2-yl]methanesulfonamide?
N-[(2S)-1-(4-bromophenyl)propan-2-yl]methanesulfonamide has a molecular weight of 292.20 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(4-bromophenyl)propan-2-yl]methanesulfonamide is sourced from PubChem (CID 94145530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).