1-(4-chloro-2-hydroxy-3-pyrrolidin-1-ylsulfonylphenyl)-3-(2-methylcyclopent-2-en-1-yl)propan-2-one

C19H24ClNO4S — CID 147729484

IUPAC1-(4-chloro-2-hydroxy-3-pyrrolidin-1-ylsulfonylphenyl)-3-(2-methylcyclopent-2-en-1-yl)propan-2-one
SMILESCC1=CCCC1CC(=O)Cc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1O
InChIInChI=1S/C19H24ClNO4S/c1-13-5-4-6-14(13)11-16(22)12-15-7-8-17(20)19(18(15)23)26(24,25)21-9-2-3-10-21/h5,7-8,14,23H,2-4,6,9-12H2,1H3
InChIKeyGYDGUAMNQPYMFI-UHFFFAOYSA-N
MW397.92 g/mol
LogP3.69
Rot. Bonds6

About 1-(4-chloro-2-hydroxy-3-pyrrolidin-1-ylsulfonylphenyl)-3-(2-methylcyclopent-2-en-1-yl)propan-2-one

1-(4-chloro-2-hydroxy-3-pyrrolidin-1-ylsulfonylphenyl)-3-(2-methylcyclopent-2-en-1-yl)propan-2-one (PubChem CID 147729484) has the molecular formula C19H24ClNO4S and a molecular weight of 397.92 g/mol. Its IUPAC name is 1-(4-chloro-2-hydroxy-3-pyrrolidin-1-ylsulfonylphenyl)-3-(2-methylcyclopent-2-en-1-yl)propan-2-one.

Molecular Properties

Compound Name1-(4-chloro-2-hydroxy-3-pyrrolidin-1-ylsulfonylphenyl)-3-(2-methylcyclopent-2-en-1-yl)propan-2-one
PubChem CID147729484
Molecular FormulaC19H24ClNO4S
Molecular Weight397.92 g/mol
Exact Mass397.11
IUPAC Name1-(4-chloro-2-hydroxy-3-pyrrolidin-1-ylsulfonylphenyl)-3-(2-methylcyclopent-2-en-1-yl)propan-2-one
SMILESCC1=CCCC1CC(=O)Cc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1O
InChIInChI=1S/C19H24ClNO4S/c1-13-5-4-6-14(13)11-16(22)12-15-7-8-17(20)19(18(15)23)26(24,25)21-9-2-3-10-21/h5,7-8,14,23H,2-4,6,9-12H2,1H3
InChIKeyGYDGUAMNQPYMFI-UHFFFAOYSA-N
XLogP3.69
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.92
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(4-chloro-2-hydroxy-3-pyrrolidin-1-ylsulfonylphenyl)-3-(2-methylcyclopent-2-en-1-yl)propan-2-one 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-[4-chloro-3-(3-fluoroazetidin-1-yl)sulfonyl-2-hydroxyphenyl]-3-(2-methylcyclopent-2-en-1-yl)propan-2-one
CID 160940867
1-(4-chloro-2-hydroxy-3-piperidin-1-ylsulfonylphenyl)-3-[(1R)-2-methylcyclopent-2-en-1-yl]urea
CID 118554793
1-(4-chloro-2-hydroxy-3-morpholin-4-ylsulfonylphenyl)-3-(2-methylcyclopent-2-en-1-yl)urea
CID 118554797
N-[(2-chloro-4-pyrrolidin-1-ylsulfonylphenyl)methyl]cyclopropanamine
CID 107091138
9H-fluoren-9-ylmethyl 4-[6-chloro-2-hydroxy-3-[[(1R)-2-methylcyclopent-2-en-1-yl]carbamoylamino]phenyl]sulfonylpiperazine-1-carboxylate
CID 118540597
N-[(2-chloro-4-piperidin-1-ylsulfonylphenyl)methyl]cyclopropanamine
CID 107091179
(2S)-N-cyclopropyl-2-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]propanamide
CID 8710428
1-(2,6-dichlorophenyl)sulfonyl-N-ethylpiperidine-4-carboxamide
CID 40630200
2-[1-(2-chloro-6-fluorophenyl)sulfonylpiperidin-3-yl]acetamide
CID 75508926
1-(2,6-dichlorophenyl)sulfonyl-N-methyl-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide
CID 56509619
3-(4-chloro-2-hydroxy-3-pyrrolidin-1-ylsulfonylanilino)-4-[1-[(2R,5R)-5-methyloxolan-2-yl]propylamino]cyclobut-3-ene-1,2-dione
CID 25112982
1-(4-ethoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate
CID 2405279

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-hydroxy-3-pyrrolidin-1-ylsulfonylphenyl)-3-(2-methylcyclopent-2-en-1-yl)propan-2-one?
The IUPAC name of 1-(4-chloro-2-hydroxy-3-pyrrolidin-1-ylsulfonylphenyl)-3-(2-methylcyclopent-2-en-1-yl)propan-2-one (CID 147729484) is 1-(4-chloro-2-hydroxy-3-pyrrolidin-1-ylsulfonylphenyl)-3-(2-methylcyclopent-2-en-1-yl)propan-2-one.
What is the SMILES notation for 1-(4-chloro-2-hydroxy-3-pyrrolidin-1-ylsulfonylphenyl)-3-(2-methylcyclopent-2-en-1-yl)propan-2-one?
The canonical SMILES for 1-(4-chloro-2-hydroxy-3-pyrrolidin-1-ylsulfonylphenyl)-3-(2-methylcyclopent-2-en-1-yl)propan-2-one is CC1=CCCC1CC(=O)Cc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1O.
What is the InChIKey of 1-(4-chloro-2-hydroxy-3-pyrrolidin-1-ylsulfonylphenyl)-3-(2-methylcyclopent-2-en-1-yl)propan-2-one?
The InChIKey is GYDGUAMNQPYMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClNO4S/c1-13-5-4-6-14(13)11-16(22)12-15-7-8-17(20)19(18(15)23)26(24,25)21-9-2-3-10-21/h5,7-8,14,23H,2-4,6,9-12H2,1H3.
What are the key properties of 1-(4-chloro-2-hydroxy-3-pyrrolidin-1-ylsulfonylphenyl)-3-(2-methylcyclopent-2-en-1-yl)propan-2-one?
1-(4-chloro-2-hydroxy-3-pyrrolidin-1-ylsulfonylphenyl)-3-(2-methylcyclopent-2-en-1-yl)propan-2-one has a molecular weight of 397.92 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-hydroxy-3-pyrrolidin-1-ylsulfonylphenyl)-3-(2-methylcyclopent-2-en-1-yl)propan-2-one is sourced from PubChem (CID 147729484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).