2,3-dimethoxy-5-(pyrrolidine-1-carbonyl)benzenesulfonyl chloride

C13H16ClNO5S — CID 65367398

IUPAC2,3-dimethoxy-5-(pyrrolidine-1-carbonyl)benzenesulfonyl chloride
SMILESCOc1cc(C(=O)N2CCCC2)cc(S(=O)(=O)Cl)c1OC
InChIInChI=1S/C13H16ClNO5S/c1-19-10-7-9(13(16)15-5-3-4-6-15)8-11(12(10)20-2)21(14,17)18/h7-8H,3-6H2,1-2H3
InChIKeyJLZOYDYUVULJBC-UHFFFAOYSA-N
MW333.79 g/mol
LogP1.87
Rot. Bonds4

About 2,3-dimethoxy-5-(pyrrolidine-1-carbonyl)benzenesulfonyl chloride

2,3-dimethoxy-5-(pyrrolidine-1-carbonyl)benzenesulfonyl chloride (PubChem CID 65367398) has the molecular formula C13H16ClNO5S and a molecular weight of 333.79 g/mol. Its IUPAC name is 2,3-dimethoxy-5-(pyrrolidine-1-carbonyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name2,3-dimethoxy-5-(pyrrolidine-1-carbonyl)benzenesulfonyl chloride
PubChem CID65367398
Molecular FormulaC13H16ClNO5S
Molecular Weight333.79 g/mol
Exact Mass333.04
IUPAC Name2,3-dimethoxy-5-(pyrrolidine-1-carbonyl)benzenesulfonyl chloride
SMILESCOc1cc(C(=O)N2CCCC2)cc(S(=O)(=O)Cl)c1OC
InChIInChI=1S/C13H16ClNO5S/c1-19-10-7-9(13(16)15-5-3-4-6-15)8-11(12(10)20-2)21(14,17)18/h7-8H,3-6H2,1-2H3
InChIKeyJLZOYDYUVULJBC-UHFFFAOYSA-N
XLogP1.87
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.79
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-hydroxy-3,5-dimethoxyphenyl)-pyrrolidin-1-ylmethanone
CID 13410310
(4-methylsulfonylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 1148012
cyclopropyl-[4-(3,4,5-trimethoxybenzoyl)-1,4-diazepan-1-yl]methanone
CID 110797012
(3,5-dichlorophenyl)-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]methanone
CID 55556525
3-bromo-2-methoxy-5-(piperidine-1-carbonyl)benzenesulfonamide
CID 65374549
2-methyl-1-[4-(3,4,5-trimethoxybenzoyl)-1,4-diazepan-1-yl]propan-1-one
CID 110796841
phenyl-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]methanone
CID 1010280
(3,5-dimethoxy-4-phenylmethoxyphenyl)-pyrrolidin-1-ylmethanone
CID 826425
(2-bromo-4-methoxy-1-benzofuran-6-yl)-pyrrolidin-1-ylmethanone
CID 91958137
[3-chloro-5-methoxy-4-(2-methylpropoxy)phenyl]-piperidin-1-ylmethanone
CID 112759339
(4-methoxypiperidin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 110725274
2-bromo-5-(pyrrolidine-1-carbonyl)benzenesulfonyl chloride
CID 65366751

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-5-(pyrrolidine-1-carbonyl)benzenesulfonyl chloride?
The IUPAC name of 2,3-dimethoxy-5-(pyrrolidine-1-carbonyl)benzenesulfonyl chloride (CID 65367398) is 2,3-dimethoxy-5-(pyrrolidine-1-carbonyl)benzenesulfonyl chloride.
What is the SMILES notation for 2,3-dimethoxy-5-(pyrrolidine-1-carbonyl)benzenesulfonyl chloride?
The canonical SMILES for 2,3-dimethoxy-5-(pyrrolidine-1-carbonyl)benzenesulfonyl chloride is COc1cc(C(=O)N2CCCC2)cc(S(=O)(=O)Cl)c1OC.
What is the InChIKey of 2,3-dimethoxy-5-(pyrrolidine-1-carbonyl)benzenesulfonyl chloride?
The InChIKey is JLZOYDYUVULJBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO5S/c1-19-10-7-9(13(16)15-5-3-4-6-15)8-11(12(10)20-2)21(14,17)18/h7-8H,3-6H2,1-2H3.
What are the key properties of 2,3-dimethoxy-5-(pyrrolidine-1-carbonyl)benzenesulfonyl chloride?
2,3-dimethoxy-5-(pyrrolidine-1-carbonyl)benzenesulfonyl chloride has a molecular weight of 333.79 g/mol, XLogP of 1.87, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-5-(pyrrolidine-1-carbonyl)benzenesulfonyl chloride is sourced from PubChem (CID 65367398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).