1-(2-bromo-4-chlorophenyl)-N-[(2R)-2-hydroxypropyl]methanesulfonamide

C10H13BrClNO3S — CID 86783821

IUPAC1-(2-bromo-4-chlorophenyl)-N-[(2R)-2-hydroxypropyl]methanesulfonamide
SMILESC[C@@H](O)CNS(=O)(=O)Cc1ccc(Cl)cc1Br
InChIInChI=1S/C10H13BrClNO3S/c1-7(14)5-13-17(15,16)6-8-2-3-9(12)4-10(8)11/h2-4,7,13-14H,5-6H2,1H3/t7-/m1/s1
InChIKeyUIMZSWHWZOXXIB-SSDOTTSWSA-N
MW342.64 g/mol
LogP1.90
Rot. Bonds5

About 1-(2-bromo-4-chlorophenyl)-N-[(2R)-2-hydroxypropyl]methanesulfonamide

1-(2-bromo-4-chlorophenyl)-N-[(2R)-2-hydroxypropyl]methanesulfonamide (PubChem CID 86783821) has the molecular formula C10H13BrClNO3S and a molecular weight of 342.64 g/mol. Its IUPAC name is 1-(2-bromo-4-chlorophenyl)-N-[(2R)-2-hydroxypropyl]methanesulfonamide.

Molecular Properties

Compound Name1-(2-bromo-4-chlorophenyl)-N-[(2R)-2-hydroxypropyl]methanesulfonamide
PubChem CID86783821
Molecular FormulaC10H13BrClNO3S
Molecular Weight342.64 g/mol
Exact Mass340.95
IUPAC Name1-(2-bromo-4-chlorophenyl)-N-[(2R)-2-hydroxypropyl]methanesulfonamide
SMILESC[C@@H](O)CNS(=O)(=O)Cc1ccc(Cl)cc1Br
InChIInChI=1S/C10H13BrClNO3S/c1-7(14)5-13-17(15,16)6-8-2-3-9(12)4-10(8)11/h2-4,7,13-14H,5-6H2,1H3/t7-/m1/s1
InChIKeyUIMZSWHWZOXXIB-SSDOTTSWSA-N
XLogP1.90
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.64
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2-bromo-4-chlorophenyl)methanesulfonamide
CID 71683198
(2S)-4-[(2-bromo-4-chlorophenyl)methylamino]butan-2-ol
CID 97357963
5-chloro-N-(2-hydroxypropyl)-2-methylbenzenesulfonamide
CID 43502330
2-amino-4-chloro-N-[(2R)-2-hydroxypropyl]benzenesulfonamide
CID 107213300
N-[(2-bromo-4-chlorophenyl)methyl]ethanamine
CID 81497013
(2R)-1-(2-bromo-5-chloroanilino)propan-2-ol
CID 106932356
1-(2-bromo-5-chloroanilino)propan-2-ol
CID 81281043
2-[(2-bromo-4-chlorophenyl)methylamino]propanamide
CID 81495277
3-chloro-4-fluoro-N-(2-hydroxypropyl)benzenesulfonamide
CID 43502351
1-(2-bromo-4-chlorophenyl)-N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)methanesulfonamide
CID 119036389
1-(2-bromo-5-chlorophenyl)propan-2-ol
CID 117377789
1-(4-fluorophenyl)-N-(2-hydroxypropyl)methanesulfonamide
CID 43502310

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-chlorophenyl)-N-[(2R)-2-hydroxypropyl]methanesulfonamide?
The IUPAC name of 1-(2-bromo-4-chlorophenyl)-N-[(2R)-2-hydroxypropyl]methanesulfonamide (CID 86783821) is 1-(2-bromo-4-chlorophenyl)-N-[(2R)-2-hydroxypropyl]methanesulfonamide.
What is the SMILES notation for 1-(2-bromo-4-chlorophenyl)-N-[(2R)-2-hydroxypropyl]methanesulfonamide?
The canonical SMILES for 1-(2-bromo-4-chlorophenyl)-N-[(2R)-2-hydroxypropyl]methanesulfonamide is C[C@@H](O)CNS(=O)(=O)Cc1ccc(Cl)cc1Br.
What is the InChIKey of 1-(2-bromo-4-chlorophenyl)-N-[(2R)-2-hydroxypropyl]methanesulfonamide?
The InChIKey is UIMZSWHWZOXXIB-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H13BrClNO3S/c1-7(14)5-13-17(15,16)6-8-2-3-9(12)4-10(8)11/h2-4,7,13-14H,5-6H2,1H3/t7-/m1/s1.
What are the key properties of 1-(2-bromo-4-chlorophenyl)-N-[(2R)-2-hydroxypropyl]methanesulfonamide?
1-(2-bromo-4-chlorophenyl)-N-[(2R)-2-hydroxypropyl]methanesulfonamide has a molecular weight of 342.64 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-chlorophenyl)-N-[(2R)-2-hydroxypropyl]methanesulfonamide is sourced from PubChem (CID 86783821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).