3-chloro-4-[[(2R,5S)-5-methoxyoxan-2-yl]methoxy]benzenesulfonamide

C13H18ClNO5S — CID 168857206

IUPAC3-chloro-4-[[(2R,5S)-5-methoxyoxan-2-yl]methoxy]benzenesulfonamide
SMILESCO[C@H]1CC[C@H](COc2ccc(S(N)(=O)=O)cc2Cl)OC1
InChIInChI=1S/C13H18ClNO5S/c1-18-9-2-3-10(19-7-9)8-20-13-5-4-11(6-12(13)14)21(15,16)17/h4-6,9-10H,2-3,7-8H2,1H3,(H2,15,16,17)/t9-,10+/m0/s1
InChIKeyCDGBSODUHJANBD-VHSXEESVSA-N
MW335.81 g/mol
LogP1.56
Rot. Bonds5

About 3-chloro-4-[[(2R,5S)-5-methoxyoxan-2-yl]methoxy]benzenesulfonamide

3-chloro-4-[[(2R,5S)-5-methoxyoxan-2-yl]methoxy]benzenesulfonamide (PubChem CID 168857206) has the molecular formula C13H18ClNO5S and a molecular weight of 335.81 g/mol. Its IUPAC name is 3-chloro-4-[[(2R,5S)-5-methoxyoxan-2-yl]methoxy]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-[[(2R,5S)-5-methoxyoxan-2-yl]methoxy]benzenesulfonamide
PubChem CID168857206
Molecular FormulaC13H18ClNO5S
Molecular Weight335.81 g/mol
Exact Mass335.06
IUPAC Name3-chloro-4-[[(2R,5S)-5-methoxyoxan-2-yl]methoxy]benzenesulfonamide
SMILESCO[C@H]1CC[C@H](COc2ccc(S(N)(=O)=O)cc2Cl)OC1
InChIInChI=1S/C13H18ClNO5S/c1-18-9-2-3-10(19-7-9)8-20-13-5-4-11(6-12(13)14)21(15,16)17/h4-6,9-10H,2-3,7-8H2,1H3,(H2,15,16,17)/t9-,10+/m0/s1
InChIKeyCDGBSODUHJANBD-VHSXEESVSA-N
XLogP1.56
TPSA87.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.81
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-4-(4-ethylcyclohexyl)oxybenzenesulfonamide
CID 64748145
3-chloro-4-(3,3-dimethylbutoxy)benzenesulfonamide
CID 61481232
3-chloro-4-[3-(2-methoxyethoxy)propoxy]benzenesulfonamide
CID 103410565
3-(2-chloro-4-sulfamoylphenoxy)-N-cyclopropylpropanamide
CID 82921576
4-[3-chloro-4-[[(2S)-oxiran-2-yl]methoxy]phenyl]sulfonylmorpholine
CID 7111818
5-chloro-6-[(4-methoxycyclohexyl)methoxy]pyridine-3-sulfonamide
CID 67126679
4-[(5,5-dimethyloxolan-2-yl)methoxy]-3-fluorobenzenesulfonamide
CID 116522475
4-(cyclobutylmethoxy)-3-methylbenzenesulfonamide
CID 65459454
4-(cyclopentylmethoxy)-3-methylbenzenesulfonamide
CID 61344661
3-chloro-4-(3-methylbut-3-enoxy)benzenesulfonamide
CID 114473013
4-(2-tert-butylsulfonylethoxy)-3-chlorobenzenesulfonamide
CID 106726844
2-(2-chloro-4-sulfamoylphenoxy)-N-ethylacetamide
CID 82921286

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[[(2R,5S)-5-methoxyoxan-2-yl]methoxy]benzenesulfonamide?
The IUPAC name of 3-chloro-4-[[(2R,5S)-5-methoxyoxan-2-yl]methoxy]benzenesulfonamide (CID 168857206) is 3-chloro-4-[[(2R,5S)-5-methoxyoxan-2-yl]methoxy]benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-[[(2R,5S)-5-methoxyoxan-2-yl]methoxy]benzenesulfonamide?
The canonical SMILES for 3-chloro-4-[[(2R,5S)-5-methoxyoxan-2-yl]methoxy]benzenesulfonamide is CO[C@H]1CC[C@H](COc2ccc(S(N)(=O)=O)cc2Cl)OC1.
What is the InChIKey of 3-chloro-4-[[(2R,5S)-5-methoxyoxan-2-yl]methoxy]benzenesulfonamide?
The InChIKey is CDGBSODUHJANBD-VHSXEESVSA-N. The full InChI is InChI=1S/C13H18ClNO5S/c1-18-9-2-3-10(19-7-9)8-20-13-5-4-11(6-12(13)14)21(15,16)17/h4-6,9-10H,2-3,7-8H2,1H3,(H2,15,16,17)/t9-,10+/m0/s1.
What are the key properties of 3-chloro-4-[[(2R,5S)-5-methoxyoxan-2-yl]methoxy]benzenesulfonamide?
3-chloro-4-[[(2R,5S)-5-methoxyoxan-2-yl]methoxy]benzenesulfonamide has a molecular weight of 335.81 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[[(2R,5S)-5-methoxyoxan-2-yl]methoxy]benzenesulfonamide is sourced from PubChem (CID 168857206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).