N-[5-(2-bromo-1-hydroxyethyl)-2-chlorophenyl]methanesulfonamide

C9H11BrClNO3S — CID 18615156

IUPACN-[5-(2-bromo-1-hydroxyethyl)-2-chlorophenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cc(C(O)CBr)ccc1Cl
InChIInChI=1S/C9H11BrClNO3S/c1-16(14,15)12-8-4-6(9(13)5-10)2-3-7(8)11/h2-4,9,12-13H,5H2,1H3
InChIKeyZLPCLSFBJAEOGE-UHFFFAOYSA-N
MW328.62 g/mol
LogP2.14
Rot. Bonds4

About N-[5-(2-bromo-1-hydroxyethyl)-2-chlorophenyl]methanesulfonamide

N-[5-(2-bromo-1-hydroxyethyl)-2-chlorophenyl]methanesulfonamide (PubChem CID 18615156) has the molecular formula C9H11BrClNO3S and a molecular weight of 328.62 g/mol. Its IUPAC name is N-[5-(2-bromo-1-hydroxyethyl)-2-chlorophenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[5-(2-bromo-1-hydroxyethyl)-2-chlorophenyl]methanesulfonamide
PubChem CID18615156
Molecular FormulaC9H11BrClNO3S
Molecular Weight328.62 g/mol
Exact Mass326.93
IUPAC NameN-[5-(2-bromo-1-hydroxyethyl)-2-chlorophenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cc(C(O)CBr)ccc1Cl
InChIInChI=1S/C9H11BrClNO3S/c1-16(14,15)12-8-4-6(9(13)5-10)2-3-7(8)11/h2-4,9,12-13H,5H2,1H3
InChIKeyZLPCLSFBJAEOGE-UHFFFAOYSA-N
XLogP2.14
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.62
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[5-[(1R)-2-bromo-1-hydroxyethyl]-2-chlorophenyl]methanesulfonamide
CID 54553582
N-[2-chloro-4-[1-hydroxy-2-(propan-2-ylamino)ethyl]phenyl]methanesulfonamide
CID 162345152
N-[2-chloro-5-[(1S)-1-hydroxy-2-[2-[4-(2-propan-2-yl-1,3-oxazol-4-yl)phenoxy]ethylamino]ethyl]phenyl]methanesulfonamide
CID 10300261
N-[2-chloro-5-[(1R)-1-hydroxy-2-[2-[(7-methoxy-9H-carbazol-2-yl)oxy]ethylamino]ethyl]phenyl]methanesulfonamide
CID 70036087
N-[2-chloro-5-[2-[2-[(2,3-dimethyl-1H-indol-6-yl)oxy]ethylamino]-1-hydroxyethyl]phenyl]methanesulfonamide;hydrochloride
CID 22141438
N-[2-chloro-5-[(1S)-1-hydroxy-2-[2-[(7-hydroxy-9H-carbazol-2-yl)oxy]ethylamino]ethyl]phenyl]methanesulfonamide
CID 10206627
2-bromo-1-(4-methylsulfonylphenyl)ethanol
CID 13337385
N-[2-hydroxy-5-[1-hydroxy-2-[4-[[2-hydroxy-2-[4-hydroxy-3-(methanesulfonamido)phenyl]ethyl]amino]butylamino]ethyl]phenyl]methanesulfonamide;dihydrochloride
CID 21438072
4-chloro-3-(methanesulfonamido)-N-(3-methyl-1-phenylbutyl)benzamide
CID 49018159
4-chloro-3-(methanesulfonamido)-N-[(2S)-3-methyl-2-phenylbutyl]benzamide
CID 52514330
(1S)-2-bromo-1-(3-chloro-4-fluorophenyl)ethanol
CID 83001730
N-[2-chloro-5-(2-cyanoacetyl)phenyl]methanesulfonamide
CID 23592519

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-bromo-1-hydroxyethyl)-2-chlorophenyl]methanesulfonamide?
The IUPAC name of N-[5-(2-bromo-1-hydroxyethyl)-2-chlorophenyl]methanesulfonamide (CID 18615156) is N-[5-(2-bromo-1-hydroxyethyl)-2-chlorophenyl]methanesulfonamide.
What is the SMILES notation for N-[5-(2-bromo-1-hydroxyethyl)-2-chlorophenyl]methanesulfonamide?
The canonical SMILES for N-[5-(2-bromo-1-hydroxyethyl)-2-chlorophenyl]methanesulfonamide is CS(=O)(=O)Nc1cc(C(O)CBr)ccc1Cl.
What is the InChIKey of N-[5-(2-bromo-1-hydroxyethyl)-2-chlorophenyl]methanesulfonamide?
The InChIKey is ZLPCLSFBJAEOGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrClNO3S/c1-16(14,15)12-8-4-6(9(13)5-10)2-3-7(8)11/h2-4,9,12-13H,5H2,1H3.
What are the key properties of N-[5-(2-bromo-1-hydroxyethyl)-2-chlorophenyl]methanesulfonamide?
N-[5-(2-bromo-1-hydroxyethyl)-2-chlorophenyl]methanesulfonamide has a molecular weight of 328.62 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-bromo-1-hydroxyethyl)-2-chlorophenyl]methanesulfonamide is sourced from PubChem (CID 18615156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).