4-chloro-2,5-dimethoxy-N-[(3S,4R)-4-methoxyoxolan-3-yl]benzenesulfonamide

C13H18ClNO6S — CID 131917221

IUPAC4-chloro-2,5-dimethoxy-N-[(3S,4R)-4-methoxyoxolan-3-yl]benzenesulfonamide
SMILESCOc1cc(S(=O)(=O)N[C@H]2COC[C@@H]2OC)c(OC)cc1Cl
InChIInChI=1S/C13H18ClNO6S/c1-18-10-5-13(11(19-2)4-8(10)14)22(16,17)15-9-6-21-7-12(9)20-3/h4-5,9,12,15H,6-7H2,1-3H3/t9-,12-/m0/s1
InChIKeyRRMQLLHQWFVSAI-CABZTGNLSA-N
MW351.81 g/mol
LogP1.05
Rot. Bonds6

About 4-chloro-2,5-dimethoxy-N-[(3S,4R)-4-methoxyoxolan-3-yl]benzenesulfonamide

4-chloro-2,5-dimethoxy-N-[(3S,4R)-4-methoxyoxolan-3-yl]benzenesulfonamide (PubChem CID 131917221) has the molecular formula C13H18ClNO6S and a molecular weight of 351.81 g/mol. Its IUPAC name is 4-chloro-2,5-dimethoxy-N-[(3S,4R)-4-methoxyoxolan-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-2,5-dimethoxy-N-[(3S,4R)-4-methoxyoxolan-3-yl]benzenesulfonamide
PubChem CID131917221
Molecular FormulaC13H18ClNO6S
Molecular Weight351.81 g/mol
Exact Mass351.05
IUPAC Name4-chloro-2,5-dimethoxy-N-[(3S,4R)-4-methoxyoxolan-3-yl]benzenesulfonamide
SMILESCOc1cc(S(=O)(=O)N[C@H]2COC[C@@H]2OC)c(OC)cc1Cl
InChIInChI=1S/C13H18ClNO6S/c1-18-10-5-13(11(19-2)4-8(10)14)22(16,17)15-9-6-21-7-12(9)20-3/h4-5,9,12,15H,6-7H2,1-3H3/t9-,12-/m0/s1
InChIKeyRRMQLLHQWFVSAI-CABZTGNLSA-N
XLogP1.05
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.81
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-N-cycloheptyl-2,5-dimethoxybenzenesulfonamide
CID 2200633
4-chloro-2,5-dimethoxy-N-propylbenzenesulfonamide
CID 2243556
N-(1-azabicyclo[2.2.2]octan-3-yl)-2,5-dichloro-4-methoxybenzenesulfonamide
CID 91948739
2,5-dichloro-4-methoxy-N-[(3R,4S)-3-methylpiperidin-4-yl]benzenesulfonamide
CID 129467888
4-chloro-2,5-dimethoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 2968373
4-(4-chloro-2,5-dimethoxyphenyl)sulfonylmorpholine
CID 760766
2,5-dichloro-4-methoxy-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120724939
4-[[(3S,4R)-4-methoxyoxolan-3-yl]sulfamoyl]-N-methylthiophene-2-carboxamide
CID 131910790
4-chloro-N-(4-hydroxyoxolan-3-yl)-2,5-dimethylbenzenesulfonamide
CID 156608191
(2S,3R)-3-[(5-chloro-4-methoxy-2-methylphenyl)sulfonylamino]oxolane-2-carboxylic acid
CID 166242169
2,5-dichloro-4-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
CID 9266608
4-chloro-2,5-dimethoxy-N-(2-methylphenyl)benzenesulfonamide
CID 163343299

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,5-dimethoxy-N-[(3S,4R)-4-methoxyoxolan-3-yl]benzenesulfonamide?
The IUPAC name of 4-chloro-2,5-dimethoxy-N-[(3S,4R)-4-methoxyoxolan-3-yl]benzenesulfonamide (CID 131917221) is 4-chloro-2,5-dimethoxy-N-[(3S,4R)-4-methoxyoxolan-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-2,5-dimethoxy-N-[(3S,4R)-4-methoxyoxolan-3-yl]benzenesulfonamide?
The canonical SMILES for 4-chloro-2,5-dimethoxy-N-[(3S,4R)-4-methoxyoxolan-3-yl]benzenesulfonamide is COc1cc(S(=O)(=O)N[C@H]2COC[C@@H]2OC)c(OC)cc1Cl.
What is the InChIKey of 4-chloro-2,5-dimethoxy-N-[(3S,4R)-4-methoxyoxolan-3-yl]benzenesulfonamide?
The InChIKey is RRMQLLHQWFVSAI-CABZTGNLSA-N. The full InChI is InChI=1S/C13H18ClNO6S/c1-18-10-5-13(11(19-2)4-8(10)14)22(16,17)15-9-6-21-7-12(9)20-3/h4-5,9,12,15H,6-7H2,1-3H3/t9-,12-/m0/s1.
What are the key properties of 4-chloro-2,5-dimethoxy-N-[(3S,4R)-4-methoxyoxolan-3-yl]benzenesulfonamide?
4-chloro-2,5-dimethoxy-N-[(3S,4R)-4-methoxyoxolan-3-yl]benzenesulfonamide has a molecular weight of 351.81 g/mol, XLogP of 1.05, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2,5-dimethoxy-N-[(3S,4R)-4-methoxyoxolan-3-yl]benzenesulfonamide is sourced from PubChem (CID 131917221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).