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

C15H16ClN3O4S — CID 71694028

IUPAC4-chloro-N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyrimidin-5-ylcyclopentyl]benzenesulfonamide
SMILESO=S(=O)(N[C@H]1[C@H](O)[C@H](O)C[C@@H]1c1cncnc1)c1ccc(Cl)cc1
InChIInChI=1S/C15H16ClN3O4S/c16-10-1-3-11(4-2-10)24(22,23)19-14-12(5-13(20)15(14)21)9-6-17-8-18-7-9/h1-4,6-8,12-15,19-21H,5H2/t12-,13-,14-,15-/m1/s1
InChIKeyKLDONYYBUPBXDU-KBUPBQIOSA-N
MW369.83 g/mol
LogP0.69
Rot. Bonds4

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

4-chloro-N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyrimidin-5-ylcyclopentyl]benzenesulfonamide (PubChem CID 71694028) has the molecular formula C15H16ClN3O4S and a molecular weight of 369.83 g/mol. Its IUPAC name is 4-chloro-N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyrimidin-5-ylcyclopentyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyrimidin-5-ylcyclopentyl]benzenesulfonamide
PubChem CID71694028
Molecular FormulaC15H16ClN3O4S
Molecular Weight369.83 g/mol
Exact Mass369.06
IUPAC Name4-chloro-N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyrimidin-5-ylcyclopentyl]benzenesulfonamide
SMILESO=S(=O)(N[C@H]1[C@H](O)[C@H](O)C[C@@H]1c1cncnc1)c1ccc(Cl)cc1
InChIInChI=1S/C15H16ClN3O4S/c16-10-1-3-11(4-2-10)24(22,23)19-14-12(5-13(20)15(14)21)9-6-17-8-18-7-9/h1-4,6-8,12-15,19-21H,5H2/t12-,13-,14-,15-/m1/s1
InChIKeyKLDONYYBUPBXDU-KBUPBQIOSA-N
XLogP0.69
TPSA112.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.83
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-chloro-N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyrimidin-5-ylcyclopentyl]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-(2-methylphenyl)cyclopentyl]benzenesulfonamide
CID 71694018
N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyridin-4-ylcyclopentyl]benzenesulfonamide
CID 71693841
4-chloro-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide
CID 54351747
N-(azetidin-3-yl)-4-chlorobenzenesulfonamide
CID 66187951
6-chloro-N-(3-tricyclo[3.2.1.02,4]octanyl)pyridine-3-sulfonamide
CID 103765722
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-chlorobenzenesulfonamide
CID 61232934
2-[(4-chlorophenyl)sulfonylamino]cycloheptane-1-carboxylic acid
CID 22019722
N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-4-chlorobenzenesulfonamide
CID 50898130
N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-4-chlorobenzenesulfonamide
CID 98084772
N-(2-bicyclo[2.2.1]heptanyl)-4-chlorobenzenesulfonamide
CID 2894402
3-chloro-4-fluoro-N-[(1R,3R)-3-hydroxycyclohexyl]benzenesulfonamide
CID 95984027

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyrimidin-5-ylcyclopentyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyrimidin-5-ylcyclopentyl]benzenesulfonamide (CID 71694028) is 4-chloro-N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyrimidin-5-ylcyclopentyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyrimidin-5-ylcyclopentyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyrimidin-5-ylcyclopentyl]benzenesulfonamide is O=S(=O)(N[C@H]1[C@H](O)[C@H](O)C[C@@H]1c1cncnc1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyrimidin-5-ylcyclopentyl]benzenesulfonamide?
The InChIKey is KLDONYYBUPBXDU-KBUPBQIOSA-N. The full InChI is InChI=1S/C15H16ClN3O4S/c16-10-1-3-11(4-2-10)24(22,23)19-14-12(5-13(20)15(14)21)9-6-17-8-18-7-9/h1-4,6-8,12-15,19-21H,5H2/t12-,13-,14-,15-/m1/s1.
What are the key properties of 4-chloro-N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyrimidin-5-ylcyclopentyl]benzenesulfonamide?
4-chloro-N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyrimidin-5-ylcyclopentyl]benzenesulfonamide has a molecular weight of 369.83 g/mol, XLogP of 0.69, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyrimidin-5-ylcyclopentyl]benzenesulfonamide is sourced from PubChem (CID 71694028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).