(2R)-1-[4-(3-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]propan-2-ol

C14H21ClN2O3S — CID 97039318

IUPAC(2R)-1-[4-(3-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]propan-2-ol
SMILESCc1c(Cl)cccc1S(=O)(=O)N1CCN(C[C@@H](C)O)CC1
InChIInChI=1S/C14H21ClN2O3S/c1-11(18)10-16-6-8-17(9-7-16)21(19,20)14-5-3-4-13(15)12(14)2/h3-5,11,18H,6-10H2,1-2H3/t11-/m1/s1
InChIKeyYFCHKMGRSCMLKY-LLVKDONJSA-N
MW332.85 g/mol
LogP1.34
Rot. Bonds4

About (2R)-1-[4-(3-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]propan-2-ol

(2R)-1-[4-(3-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]propan-2-ol (PubChem CID 97039318) has the molecular formula C14H21ClN2O3S and a molecular weight of 332.85 g/mol. Its IUPAC name is (2R)-1-[4-(3-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[4-(3-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]propan-2-ol
PubChem CID97039318
Molecular FormulaC14H21ClN2O3S
Molecular Weight332.85 g/mol
Exact Mass332.10
IUPAC Name(2R)-1-[4-(3-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]propan-2-ol
SMILESCc1c(Cl)cccc1S(=O)(=O)N1CCN(C[C@@H](C)O)CC1
InChIInChI=1S/C14H21ClN2O3S/c1-11(18)10-16-6-8-17(9-7-16)21(19,20)14-5-3-4-13(15)12(14)2/h3-5,11,18H,6-10H2,1-2H3/t11-/m1/s1
InChIKeyYFCHKMGRSCMLKY-LLVKDONJSA-N
XLogP1.34
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.85
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-1-[4-(3-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-chloro-2-methylphenyl)sulfonyl-4-propan-2-ylpiperazine
CID 47203381
1-(3-chloro-2-methylphenyl)sulfonyl-4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazine
CID 90561427
1-(3-chloro-2-methylphenyl)sulfonyl-4-phenylpiperazine
CID 11951648
(2R)-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]propan-2-ol
CID 97039313
1-(3-chloro-2-methylphenyl)sulfonyl-4-[(S)-(4-chlorophenyl)-phenylmethyl]piperazine
CID 92772321
1-(3-chloro-2-methylphenyl)sulfonyl-4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazine
CID 90507151
(1S)-1-[(3R)-1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]ethanamine
CID 124678233
1-[4-(3-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-2-pyridin-2-ylethanone
CID 51134010
(3S)-1-(3-chloro-2-methylphenyl)sulfonyl-3-methylsulfonylpyrrolidine
CID 97354839
1-(3-chloro-2-methylphenyl)sulfonyl-3-methylpyrrolidine-3-carboxylic acid
CID 63149607
1-[1-(3-chloro-2-methylphenyl)sulfonylpyrrolidin-3-yl]-N-methylmethanamine
CID 63263835
2-[[4,7-bis[(2S)-2-hydroxypropyl]-1,4,7-triazonan-1-yl]methyl]benzenesulfonic acid
CID 165144516

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-(3-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]propan-2-ol?
The IUPAC name of (2R)-1-[4-(3-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]propan-2-ol (CID 97039318) is (2R)-1-[4-(3-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]propan-2-ol.
What is the SMILES notation for (2R)-1-[4-(3-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]propan-2-ol?
The canonical SMILES for (2R)-1-[4-(3-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]propan-2-ol is Cc1c(Cl)cccc1S(=O)(=O)N1CCN(C[C@@H](C)O)CC1.
What is the InChIKey of (2R)-1-[4-(3-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]propan-2-ol?
The InChIKey is YFCHKMGRSCMLKY-LLVKDONJSA-N. The full InChI is InChI=1S/C14H21ClN2O3S/c1-11(18)10-16-6-8-17(9-7-16)21(19,20)14-5-3-4-13(15)12(14)2/h3-5,11,18H,6-10H2,1-2H3/t11-/m1/s1.
What are the key properties of (2R)-1-[4-(3-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]propan-2-ol?
(2R)-1-[4-(3-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]propan-2-ol has a molecular weight of 332.85 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-(3-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]propan-2-ol is sourced from PubChem (CID 97039318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).