2,4-dichloro-N-[(2S)-3-hydroxy-1-oxo-1-piperazin-1-ylpropan-2-yl]benzenesulfonamide

C13H17Cl2N3O4S — CID 59868380

IUPAC2,4-dichloro-N-[(2S)-3-hydroxy-1-oxo-1-piperazin-1-ylpropan-2-yl]benzenesulfonamide
SMILESO=C([C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1Cl)N1CCNCC1
InChIInChI=1S/C13H17Cl2N3O4S/c14-9-1-2-12(10(15)7-9)23(21,22)17-11(8-19)13(20)18-5-3-16-4-6-18/h1-2,7,11,16-17,19H,3-6,8H2/t11-/m0/s1
InChIKeySCHZAULYDLCFNW-NSHDSACASA-N
MW382.27 g/mol
LogP0.06
Rot. Bonds5

About 2,4-dichloro-N-[(2S)-3-hydroxy-1-oxo-1-piperazin-1-ylpropan-2-yl]benzenesulfonamide

2,4-dichloro-N-[(2S)-3-hydroxy-1-oxo-1-piperazin-1-ylpropan-2-yl]benzenesulfonamide (PubChem CID 59868380) has the molecular formula C13H17Cl2N3O4S and a molecular weight of 382.27 g/mol. Its IUPAC name is 2,4-dichloro-N-[(2S)-3-hydroxy-1-oxo-1-piperazin-1-ylpropan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-dichloro-N-[(2S)-3-hydroxy-1-oxo-1-piperazin-1-ylpropan-2-yl]benzenesulfonamide
PubChem CID59868380
Molecular FormulaC13H17Cl2N3O4S
Molecular Weight382.27 g/mol
Exact Mass381.03
IUPAC Name2,4-dichloro-N-[(2S)-3-hydroxy-1-oxo-1-piperazin-1-ylpropan-2-yl]benzenesulfonamide
SMILESO=C([C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1Cl)N1CCNCC1
InChIInChI=1S/C13H17Cl2N3O4S/c14-9-1-2-12(10(15)7-9)23(21,22)17-11(8-19)13(20)18-5-3-16-4-6-18/h1-2,7,11,16-17,19H,3-6,8H2/t11-/m0/s1
InChIKeySCHZAULYDLCFNW-NSHDSACASA-N
XLogP0.06
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.27
LogP ≤ 50.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2,4-dichloro-N-[(2S)-3-hydroxy-1-oxo-1-piperazin-1-ylpropan-2-yl]benzenesulfonamide with MolForge

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Launch Full Analysis

Related Compounds

(2S)-2-[(2,4-dichlorophenyl)sulfonylamino]butanedioic acid
CID 154863455
1-[(2S)-1-[4-[(2S)-2-[(2,4-dichlorophenyl)sulfonylamino]-2-phenylacetyl]piperazin-1-yl]-4-methyl-1-oxopentan-2-yl]-3-phenylurea
CID 23630195
2,5-dichloro-N-[(2R)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]benzenesulfonamide
CID 30142830
N-[1-[4-[(2R)-2-[(2,4-dichlorophenyl)sulfonylamino]-3-hydroxypropanoyl]-2,2-dimethylpiperazin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-1-benzothiophene-2-carboxamide
CID 70252646
N-[(2S)-3-amino-1-oxo-1-piperazin-1-ylpropan-2-yl]-2-chloro-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 68629670
2,4-dichloro-N-hydroxybenzenesulfonamide
CID 83542895
2,5-dichloro-N-[(2S)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]benzenesulfonamide
CID 30142856
tert-butyl N-[3-(4-chloro-2-hydroxyphenyl)-1-oxo-1-piperazin-1-ylpropan-2-yl]carbamate
CID 142918368
benzyl 4-[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]piperazine-1-carboxylate;N-[(2S)-1-[4-[(2S)-2-[(2,4-dichlorophenyl)sulfonylamino]-3-hydroxypropanoyl]piperazin-1-yl]-4-methyl-1-oxopentan-2-yl]-1-benzothiophene-2-carboxamide
CID 160506452
2,4-dichloro-N-(4-piperazin-1-ylnaphthalen-1-yl)benzenesulfonamide
CID 10277045
2-chloro-N-[(2S)-4-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl]benzenesulfonamide
CID 110351682
3-(4-chloro-2-methoxyphenyl)-2-methyl-1-piperazin-1-ylpropan-1-one
CID 142918406

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[(2S)-3-hydroxy-1-oxo-1-piperazin-1-ylpropan-2-yl]benzenesulfonamide?
The IUPAC name of 2,4-dichloro-N-[(2S)-3-hydroxy-1-oxo-1-piperazin-1-ylpropan-2-yl]benzenesulfonamide (CID 59868380) is 2,4-dichloro-N-[(2S)-3-hydroxy-1-oxo-1-piperazin-1-ylpropan-2-yl]benzenesulfonamide.
What is the SMILES notation for 2,4-dichloro-N-[(2S)-3-hydroxy-1-oxo-1-piperazin-1-ylpropan-2-yl]benzenesulfonamide?
The canonical SMILES for 2,4-dichloro-N-[(2S)-3-hydroxy-1-oxo-1-piperazin-1-ylpropan-2-yl]benzenesulfonamide is O=C([C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1Cl)N1CCNCC1.
What is the InChIKey of 2,4-dichloro-N-[(2S)-3-hydroxy-1-oxo-1-piperazin-1-ylpropan-2-yl]benzenesulfonamide?
The InChIKey is SCHZAULYDLCFNW-NSHDSACASA-N. The full InChI is InChI=1S/C13H17Cl2N3O4S/c14-9-1-2-12(10(15)7-9)23(21,22)17-11(8-19)13(20)18-5-3-16-4-6-18/h1-2,7,11,16-17,19H,3-6,8H2/t11-/m0/s1.
What are the key properties of 2,4-dichloro-N-[(2S)-3-hydroxy-1-oxo-1-piperazin-1-ylpropan-2-yl]benzenesulfonamide?
2,4-dichloro-N-[(2S)-3-hydroxy-1-oxo-1-piperazin-1-ylpropan-2-yl]benzenesulfonamide has a molecular weight of 382.27 g/mol, XLogP of 0.06, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[(2S)-3-hydroxy-1-oxo-1-piperazin-1-ylpropan-2-yl]benzenesulfonamide is sourced from PubChem (CID 59868380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).