(2S)-N-(2-bromo-5-chlorophenyl)-2-methoxypropane-1-sulfonamide

C10H13BrClNO3S — CID 164634346

IUPAC(2S)-N-(2-bromo-5-chlorophenyl)-2-methoxypropane-1-sulfonamide
SMILESCO[C@@H](C)CS(=O)(=O)Nc1cc(Cl)ccc1Br
InChIInChI=1S/C10H13BrClNO3S/c1-7(16-2)6-17(14,15)13-10-5-8(12)3-4-9(10)11/h3-5,7,13H,6H2,1-2H3/t7-/m0/s1
InChIKeySDXFWRLLORNENF-ZETCQYMHSA-N
MW342.64 g/mol
LogP2.88
Rot. Bonds5

About (2S)-N-(2-bromo-5-chlorophenyl)-2-methoxypropane-1-sulfonamide

(2S)-N-(2-bromo-5-chlorophenyl)-2-methoxypropane-1-sulfonamide (PubChem CID 164634346) has the molecular formula C10H13BrClNO3S and a molecular weight of 342.64 g/mol. Its IUPAC name is (2S)-N-(2-bromo-5-chlorophenyl)-2-methoxypropane-1-sulfonamide.

Molecular Properties

Compound Name(2S)-N-(2-bromo-5-chlorophenyl)-2-methoxypropane-1-sulfonamide
PubChem CID164634346
Molecular FormulaC10H13BrClNO3S
Molecular Weight342.64 g/mol
Exact Mass340.95
IUPAC Name(2S)-N-(2-bromo-5-chlorophenyl)-2-methoxypropane-1-sulfonamide
SMILESCO[C@@H](C)CS(=O)(=O)Nc1cc(Cl)ccc1Br
InChIInChI=1S/C10H13BrClNO3S/c1-7(16-2)6-17(14,15)13-10-5-8(12)3-4-9(10)11/h3-5,7,13H,6H2,1-2H3/t7-/m0/s1
InChIKeySDXFWRLLORNENF-ZETCQYMHSA-N
XLogP2.88
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.64
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromo-3-chlorophenyl)methanesulfonamide
CID 67639516
N-(2-bromo-5-chloro-4-fluorophenyl)methanesulfonamide
CID 68536086
N-(2-bromo-4-fluorophenyl)-2-propan-2-yloxyethanesulfonamide
CID 79150383
N-(2-bromo-5-chlorophenyl)-1,1-difluoromethanesulfonamide
CID 81274111
N-(2-bromo-5-chlorophenyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83059262
N-(2-bromo-3-chlorophenyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 103480220
N-(2-bromo-5-fluorophenyl)-2-propan-2-yloxyethanesulfonamide
CID 103752868
N-(2-bromo-6-chloro-4-fluorophenyl)-2-methoxyethanesulfonamide
CID 104922634
N-(2-bromo-6-chloro-4-fluorophenyl)-2-propan-2-yloxyethanesulfonamide
CID 107612653
N-(2-bromo-6-chloro-4-fluorophenyl)-3-methoxypropane-1-sulfonamide
CID 107612678
N-(2-bromo-6-chloro-4-fluorophenyl)-2-ethoxyethanesulfonamide
CID 113981104
N-(4-amino-5-bromo-2-chlorophenyl)ethanesulfonamide
CID 56984554

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-bromo-5-chlorophenyl)-2-methoxypropane-1-sulfonamide?
The IUPAC name of (2S)-N-(2-bromo-5-chlorophenyl)-2-methoxypropane-1-sulfonamide (CID 164634346) is (2S)-N-(2-bromo-5-chlorophenyl)-2-methoxypropane-1-sulfonamide.
What is the SMILES notation for (2S)-N-(2-bromo-5-chlorophenyl)-2-methoxypropane-1-sulfonamide?
The canonical SMILES for (2S)-N-(2-bromo-5-chlorophenyl)-2-methoxypropane-1-sulfonamide is CO[C@@H](C)CS(=O)(=O)Nc1cc(Cl)ccc1Br.
What is the InChIKey of (2S)-N-(2-bromo-5-chlorophenyl)-2-methoxypropane-1-sulfonamide?
The InChIKey is SDXFWRLLORNENF-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H13BrClNO3S/c1-7(16-2)6-17(14,15)13-10-5-8(12)3-4-9(10)11/h3-5,7,13H,6H2,1-2H3/t7-/m0/s1.
What are the key properties of (2S)-N-(2-bromo-5-chlorophenyl)-2-methoxypropane-1-sulfonamide?
(2S)-N-(2-bromo-5-chlorophenyl)-2-methoxypropane-1-sulfonamide has a molecular weight of 342.64 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-bromo-5-chlorophenyl)-2-methoxypropane-1-sulfonamide is sourced from PubChem (CID 164634346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).