2,5-dichloro-N-[(2S)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]benzenesulfonamide

C13H14Cl2N2O3S — CID 95982562

IUPAC2,5-dichloro-N-[(2S)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]benzenesulfonamide
SMILESCn1cccc1[C@@H](O)CNS(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H14Cl2N2O3S/c1-17-6-2-3-11(17)12(18)8-16-21(19,20)13-7-9(14)4-5-10(13)15/h2-7,12,16,18H,8H2,1H3/t12-/m0/s1
InChIKeyWZKJXVJKLSMULA-LBPRGKRZSA-N
MW349.24 g/mol
LogP2.34
Rot. Bonds5

About 2,5-dichloro-N-[(2S)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]benzenesulfonamide

2,5-dichloro-N-[(2S)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]benzenesulfonamide (PubChem CID 95982562) has the molecular formula C13H14Cl2N2O3S and a molecular weight of 349.24 g/mol. Its IUPAC name is 2,5-dichloro-N-[(2S)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-[(2S)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]benzenesulfonamide
PubChem CID95982562
Molecular FormulaC13H14Cl2N2O3S
Molecular Weight349.24 g/mol
Exact Mass348.01
IUPAC Name2,5-dichloro-N-[(2S)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]benzenesulfonamide
SMILESCn1cccc1[C@@H](O)CNS(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H14Cl2N2O3S/c1-17-6-2-3-11(17)12(18)8-16-21(19,20)13-7-9(14)4-5-10(13)15/h2-7,12,16,18H,8H2,1H3/t12-/m0/s1
InChIKeyWZKJXVJKLSMULA-LBPRGKRZSA-N
XLogP2.34
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.24
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-4-fluoro-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]benzenesulfonamide
CID 71781618
2,5-dichloro-N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]benzenesulfonamide
CID 124760956
4-fluoro-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-3-methylbenzenesulfonamide
CID 90496301
3-chloro-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-4-methoxybenzenesulfonamide
CID 90496345
5-chloro-N-[(2R)-2-(dimethylamino)-2-(1-methylpyrrol-2-yl)ethyl]-2-methylbenzenesulfonamide
CID 42264048
N-[4-[[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]sulfamoyl]-3-methylphenyl]propanamide
CID 71781629
N-[(2R)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 95982538
2,5-dichloro-N-[(2S)-2-(dimethylamino)propyl]benzenesulfonamide
CID 34132352
4-ethoxy-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-3-methylbenzenesulfonamide
CID 71781621
1-(3,4-dichlorophenyl)-3-[(2S)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]urea
CID 95982618
4-chloro-3-[(1-methylpyrrol-2-yl)methylsulfamoyl]benzoic acid
CID 106415051
N'-(3-chlorophenyl)-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]oxamide
CID 90496385

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[(2S)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-[(2S)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]benzenesulfonamide (CID 95982562) is 2,5-dichloro-N-[(2S)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-[(2S)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-[(2S)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]benzenesulfonamide is Cn1cccc1[C@@H](O)CNS(=O)(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-[(2S)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]benzenesulfonamide?
The InChIKey is WZKJXVJKLSMULA-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H14Cl2N2O3S/c1-17-6-2-3-11(17)12(18)8-16-21(19,20)13-7-9(14)4-5-10(13)15/h2-7,12,16,18H,8H2,1H3/t12-/m0/s1.
What are the key properties of 2,5-dichloro-N-[(2S)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]benzenesulfonamide?
2,5-dichloro-N-[(2S)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]benzenesulfonamide has a molecular weight of 349.24 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[(2S)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 95982562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).