N-[(1R)-1-(2-bromophenyl)ethyl]propane-2-sulfonamide

C11H16BrNO2S — CID 81397530

IUPACN-[(1R)-1-(2-bromophenyl)ethyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)N[C@H](C)c1ccccc1Br
InChIInChI=1S/C11H16BrNO2S/c1-8(2)16(14,15)13-9(3)10-6-4-5-7-11(10)12/h4-9,13H,1-3H3/t9-/m1/s1
InChIKeyWVBZRUHWEHNDQE-SECBINFHSA-N
MW306.23 g/mol
LogP2.84
Rot. Bonds4

About N-[(1R)-1-(2-bromophenyl)ethyl]propane-2-sulfonamide

N-[(1R)-1-(2-bromophenyl)ethyl]propane-2-sulfonamide (PubChem CID 81397530) has the molecular formula C11H16BrNO2S and a molecular weight of 306.23 g/mol. Its IUPAC name is N-[(1R)-1-(2-bromophenyl)ethyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[(1R)-1-(2-bromophenyl)ethyl]propane-2-sulfonamide
PubChem CID81397530
Molecular FormulaC11H16BrNO2S
Molecular Weight306.23 g/mol
Exact Mass305.01
IUPAC NameN-[(1R)-1-(2-bromophenyl)ethyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)N[C@H](C)c1ccccc1Br
InChIInChI=1S/C11H16BrNO2S/c1-8(2)16(14,15)13-9(3)10-6-4-5-7-11(10)12/h4-9,13H,1-3H3/t9-/m1/s1
InChIKeyWVBZRUHWEHNDQE-SECBINFHSA-N
XLogP2.84
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.23
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-(2-bromophenyl)ethyl]-2-methylbenzenesulfonamide
CID 81397801
2-amino-N-[1-(2-bromophenyl)ethyl]benzenesulfonamide
CID 61111772
4-amino-N-[1-(2-bromophenyl)ethyl]benzenesulfonamide
CID 61111771
(1S)-1-(2-bromophenyl)-N-methylethanamine
CID 30122083
4-bromo-N-[1-(2-bromophenyl)ethyl]-3-methylbenzenesulfonamide
CID 60639517
2-[1-(2-bromophenyl)ethylamino]ethanesulfonamide
CID 43551890
2-amino-5-bromo-N-[1-(2-bromophenyl)ethyl]benzenesulfonamide
CID 61110850
N-(2-bromophenyl)propane-2-sulfonamide
CID 60864383
N-[1-(2-bromophenyl)ethyl]-2-methyl-3-methylsulfonylpropanamide
CID 122144544
2-(2-bromophenyl)propane-1-sulfonamide
CID 90319364
1-(3-aminophenyl)-N-[1-(2-bromophenyl)ethyl]methanesulfonamide
CID 61113097
1-(2-bromophenyl)-N-methoxyethanamine
CID 78971724

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2-bromophenyl)ethyl]propane-2-sulfonamide?
The IUPAC name of N-[(1R)-1-(2-bromophenyl)ethyl]propane-2-sulfonamide (CID 81397530) is N-[(1R)-1-(2-bromophenyl)ethyl]propane-2-sulfonamide.
What is the SMILES notation for N-[(1R)-1-(2-bromophenyl)ethyl]propane-2-sulfonamide?
The canonical SMILES for N-[(1R)-1-(2-bromophenyl)ethyl]propane-2-sulfonamide is CC(C)S(=O)(=O)N[C@H](C)c1ccccc1Br.
What is the InChIKey of N-[(1R)-1-(2-bromophenyl)ethyl]propane-2-sulfonamide?
The InChIKey is WVBZRUHWEHNDQE-SECBINFHSA-N. The full InChI is InChI=1S/C11H16BrNO2S/c1-8(2)16(14,15)13-9(3)10-6-4-5-7-11(10)12/h4-9,13H,1-3H3/t9-/m1/s1.
What are the key properties of N-[(1R)-1-(2-bromophenyl)ethyl]propane-2-sulfonamide?
N-[(1R)-1-(2-bromophenyl)ethyl]propane-2-sulfonamide has a molecular weight of 306.23 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2-bromophenyl)ethyl]propane-2-sulfonamide is sourced from PubChem (CID 81397530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).