4-chloro-N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-(2-methylphenyl)cyclopentyl]benzenesulfonamide

C18H20ClNO4S — CID 71694018

IUPAC4-chloro-N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-(2-methylphenyl)cyclopentyl]benzenesulfonamide
SMILESCc1ccccc1[C@H]1C[C@@H](O)[C@@H](O)[C@@H]1NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H20ClNO4S/c1-11-4-2-3-5-14(11)15-10-16(21)18(22)17(15)20-25(23,24)13-8-6-12(19)7-9-13/h2-9,15-18,20-22H,10H2,1H3/t15-,16-,17-,18-/m1/s1
InChIKeyYQIXETPBAZTAGL-BRSBDYLESA-N
MW381.88 g/mol
LogP2.20
Rot. Bonds4

About 4-chloro-N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-(2-methylphenyl)cyclopentyl]benzenesulfonamide

4-chloro-N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-(2-methylphenyl)cyclopentyl]benzenesulfonamide (PubChem CID 71694018) has the molecular formula C18H20ClNO4S and a molecular weight of 381.88 g/mol. Its IUPAC name is 4-chloro-N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-(2-methylphenyl)cyclopentyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-(2-methylphenyl)cyclopentyl]benzenesulfonamide
PubChem CID71694018
Molecular FormulaC18H20ClNO4S
Molecular Weight381.88 g/mol
Exact Mass381.08
IUPAC Name4-chloro-N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-(2-methylphenyl)cyclopentyl]benzenesulfonamide
SMILESCc1ccccc1[C@H]1C[C@@H](O)[C@@H](O)[C@@H]1NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H20ClNO4S/c1-11-4-2-3-5-14(11)15-10-16(21)18(22)17(15)20-25(23,24)13-8-6-12(19)7-9-13/h2-9,15-18,20-22H,10H2,1H3/t15-,16-,17-,18-/m1/s1
InChIKeyYQIXETPBAZTAGL-BRSBDYLESA-N
XLogP2.20
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.88
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-chloro-N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-(2-methylphenyl)cyclopentyl]benzenesulfonamide with MolForge

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Related Compounds

4-chloro-N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-phenylcyclopentyl]benzenesulfonamide
CID 71694012
4-chloro-N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyrimidin-5-ylcyclopentyl]benzenesulfonamide
CID 71694028
N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyridin-4-ylcyclopentyl]benzenesulfonamide
CID 71693841
4-chloro-N-[(5S,6S)-6-hydroxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]benzenesulfonamide
CID 20715221
1-chloro-4-[(1S,2R)-2-(2-methylphenyl)cyclopropyl]benzene
CID 101382283
N-(2-bromo-2,3-dihydro-1H-inden-1-yl)-4-chlorobenzenesulfonamide
CID 114297807
4-chloro-N-[1-[2-(2-methylphenyl)acetyl]piperidin-4-yl]benzenesulfonamide
CID 50823468
N-(azetidin-3-yl)-4-chlorobenzenesulfonamide
CID 66187951
4-chloro-N-[2-(dimethylamino)-1,2-dihydroacenaphthylen-1-yl]benzenesulfonamide
CID 2898123
4-chloro-N-(2-hydroxy-6-methylphenyl)benzenesulfonamide
CID 54909900
4-chloro-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide
CID 54351747
[(1S,2R)-2-[(4-chlorophenyl)sulfonylamino]-1,2-dihydroacenaphthylen-1-yl]-dimethylazanium
CID 7324622

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-(2-methylphenyl)cyclopentyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-(2-methylphenyl)cyclopentyl]benzenesulfonamide (CID 71694018) is 4-chloro-N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-(2-methylphenyl)cyclopentyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-(2-methylphenyl)cyclopentyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-(2-methylphenyl)cyclopentyl]benzenesulfonamide is Cc1ccccc1[C@H]1C[C@@H](O)[C@@H](O)[C@@H]1NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-(2-methylphenyl)cyclopentyl]benzenesulfonamide?
The InChIKey is YQIXETPBAZTAGL-BRSBDYLESA-N. The full InChI is InChI=1S/C18H20ClNO4S/c1-11-4-2-3-5-14(11)15-10-16(21)18(22)17(15)20-25(23,24)13-8-6-12(19)7-9-13/h2-9,15-18,20-22H,10H2,1H3/t15-,16-,17-,18-/m1/s1.
What are the key properties of 4-chloro-N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-(2-methylphenyl)cyclopentyl]benzenesulfonamide?
4-chloro-N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-(2-methylphenyl)cyclopentyl]benzenesulfonamide has a molecular weight of 381.88 g/mol, XLogP of 2.20, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-(2-methylphenyl)cyclopentyl]benzenesulfonamide is sourced from PubChem (CID 71694018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).