2-chloro-N-[[(2R,3S)-3-hydroxy-2-methyloxolan-3-yl]methyl]-5-propan-2-ylbenzenesulfonamide

C15H22ClNO4S — CID 124850098

IUPAC2-chloro-N-[[(2R,3S)-3-hydroxy-2-methyloxolan-3-yl]methyl]-5-propan-2-ylbenzenesulfonamide
SMILESCC(C)c1ccc(Cl)c(S(=O)(=O)NC[C@@]2(O)CCO[C@@H]2C)c1
InChIInChI=1S/C15H22ClNO4S/c1-10(2)12-4-5-13(16)14(8-12)22(19,20)17-9-15(18)6-7-21-11(15)3/h4-5,8,10-11,17-18H,6-7,9H2,1-3H3/t11-,15+/m1/s1
InChIKeyPZBFKKGYEYHRJL-ABAIWWIYSA-N
MW347.86 g/mol
LogP2.28
Rot. Bonds5

About 2-chloro-N-[[(2R,3S)-3-hydroxy-2-methyloxolan-3-yl]methyl]-5-propan-2-ylbenzenesulfonamide

2-chloro-N-[[(2R,3S)-3-hydroxy-2-methyloxolan-3-yl]methyl]-5-propan-2-ylbenzenesulfonamide (PubChem CID 124850098) has the molecular formula C15H22ClNO4S and a molecular weight of 347.86 g/mol. Its IUPAC name is 2-chloro-N-[[(2R,3S)-3-hydroxy-2-methyloxolan-3-yl]methyl]-5-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[[(2R,3S)-3-hydroxy-2-methyloxolan-3-yl]methyl]-5-propan-2-ylbenzenesulfonamide
PubChem CID124850098
Molecular FormulaC15H22ClNO4S
Molecular Weight347.86 g/mol
Exact Mass347.10
IUPAC Name2-chloro-N-[[(2R,3S)-3-hydroxy-2-methyloxolan-3-yl]methyl]-5-propan-2-ylbenzenesulfonamide
SMILESCC(C)c1ccc(Cl)c(S(=O)(=O)NC[C@@]2(O)CCO[C@@H]2C)c1
InChIInChI=1S/C15H22ClNO4S/c1-10(2)12-4-5-13(16)14(8-12)22(19,20)17-9-15(18)6-7-21-11(15)3/h4-5,8,10-11,17-18H,6-7,9H2,1-3H3/t11-,15+/m1/s1
InChIKeyPZBFKKGYEYHRJL-ABAIWWIYSA-N
XLogP2.28
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.86
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-chloro-N-[[(2R,3S)-3-hydroxy-2-methyloxolan-3-yl]methyl]-5-propan-2-ylbenzenesulfonamide with MolForge

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Related Compounds

2-chloro-5-fluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzenesulfonamide
CID 107271388
2-chloro-5-cyano-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzenesulfonamide
CID 107271407
3-amino-2,4-dichloro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzenesulfonamide
CID 106099337
4-chloro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-methylbenzenesulfonamide
CID 107271501
5-amino-2-chloro-4-fluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzenesulfonamide
CID 106099356
5-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-methylbenzenesulfonamide
CID 106099334
4-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzenesulfonamide
CID 107271459
5-amino-2-fluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-4-methylbenzenesulfonamide
CID 106099373
3-[[1-(4-chloro-3-fluorophenyl)ethylamino]methyl]-2-methyloxolan-3-ol
CID 107270576
3-hydroxy-2-methyl-3-[(sulfamoylamino)methyl]oxolane
CID 107268641
2,4,6-trifluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzenesulfonamide
CID 107271538
4-(2-chloroethyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzenesulfonamide
CID 107271443

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[(2R,3S)-3-hydroxy-2-methyloxolan-3-yl]methyl]-5-propan-2-ylbenzenesulfonamide?
The IUPAC name of 2-chloro-N-[[(2R,3S)-3-hydroxy-2-methyloxolan-3-yl]methyl]-5-propan-2-ylbenzenesulfonamide (CID 124850098) is 2-chloro-N-[[(2R,3S)-3-hydroxy-2-methyloxolan-3-yl]methyl]-5-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[[(2R,3S)-3-hydroxy-2-methyloxolan-3-yl]methyl]-5-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 2-chloro-N-[[(2R,3S)-3-hydroxy-2-methyloxolan-3-yl]methyl]-5-propan-2-ylbenzenesulfonamide is CC(C)c1ccc(Cl)c(S(=O)(=O)NC[C@@]2(O)CCO[C@@H]2C)c1.
What is the InChIKey of 2-chloro-N-[[(2R,3S)-3-hydroxy-2-methyloxolan-3-yl]methyl]-5-propan-2-ylbenzenesulfonamide?
The InChIKey is PZBFKKGYEYHRJL-ABAIWWIYSA-N. The full InChI is InChI=1S/C15H22ClNO4S/c1-10(2)12-4-5-13(16)14(8-12)22(19,20)17-9-15(18)6-7-21-11(15)3/h4-5,8,10-11,17-18H,6-7,9H2,1-3H3/t11-,15+/m1/s1.
What are the key properties of 2-chloro-N-[[(2R,3S)-3-hydroxy-2-methyloxolan-3-yl]methyl]-5-propan-2-ylbenzenesulfonamide?
2-chloro-N-[[(2R,3S)-3-hydroxy-2-methyloxolan-3-yl]methyl]-5-propan-2-ylbenzenesulfonamide has a molecular weight of 347.86 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[(2R,3S)-3-hydroxy-2-methyloxolan-3-yl]methyl]-5-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 124850098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).