N-(4-chloro-2,5-dimethoxyphenyl)pyrrolidine-1-sulfonamide

C12H17ClN2O4S — CID 110705880

IUPACN-(4-chloro-2,5-dimethoxyphenyl)pyrrolidine-1-sulfonamide
SMILESCOc1cc(NS(=O)(=O)N2CCCC2)c(OC)cc1Cl
InChIInChI=1S/C12H17ClN2O4S/c1-18-11-8-10(12(19-2)7-9(11)13)14-20(16,17)15-5-3-4-6-15/h7-8,14H,3-6H2,1-2H3
InChIKeyPXHLJYSQUPYPCE-UHFFFAOYSA-N
MW320.80 g/mol
LogP2.11
Rot. Bonds5

About N-(4-chloro-2,5-dimethoxyphenyl)pyrrolidine-1-sulfonamide

N-(4-chloro-2,5-dimethoxyphenyl)pyrrolidine-1-sulfonamide (PubChem CID 110705880) has the molecular formula C12H17ClN2O4S and a molecular weight of 320.80 g/mol. Its IUPAC name is N-(4-chloro-2,5-dimethoxyphenyl)pyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-(4-chloro-2,5-dimethoxyphenyl)pyrrolidine-1-sulfonamide
PubChem CID110705880
Molecular FormulaC12H17ClN2O4S
Molecular Weight320.80 g/mol
Exact Mass320.06
IUPAC NameN-(4-chloro-2,5-dimethoxyphenyl)pyrrolidine-1-sulfonamide
SMILESCOc1cc(NS(=O)(=O)N2CCCC2)c(OC)cc1Cl
InChIInChI=1S/C12H17ClN2O4S/c1-18-11-8-10(12(19-2)7-9(11)13)14-20(16,17)15-5-3-4-6-15/h7-8,14H,3-6H2,1-2H3
InChIKeyPXHLJYSQUPYPCE-UHFFFAOYSA-N
XLogP2.11
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.80
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-amino-2-methoxyphenyl)piperidine-1-sulfonamide
CID 28783407
N-[4-(aminomethyl)-2-methoxyphenyl]pyrrolidine-1-sulfonamide
CID 104847754
N-(4-chloro-2,5-dimethoxyphenyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 6458686
N-(4-chloro-2,5-dimethoxyphenyl)benzenesulfonamide
CID 710996
N-(4-chloro-2,5-dimethoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 26620585
N-(4-chloro-2,5-dimethoxyphenyl)-4-methoxy-3-piperidin-1-ylsulfonylbenzamide
CID 18892263
3-(azepan-1-ylsulfonyl)-4-chloro-N-(4-chloro-2,5-dimethoxyphenyl)benzamide
CID 26620619
N-(4-chloro-2,5-dimethoxyphenyl)-4-(cyclopropanecarbonyl)benzenesulfonamide
CID 110427928
N-(4-chloro-2,5-dimethoxyphenyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide
CID 30395840
N-(4-chloro-2,5-dimethoxyphenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 8823558
1-(5-chloro-4-methoxy-2-methylphenyl)sulfonylpiperidine
CID 110757932
methyl 4-chloro-3-(piperidin-1-ylsulfonylamino)benzoate
CID 110705948

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)pyrrolidine-1-sulfonamide?
The IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)pyrrolidine-1-sulfonamide (CID 110705880) is N-(4-chloro-2,5-dimethoxyphenyl)pyrrolidine-1-sulfonamide.
What is the SMILES notation for N-(4-chloro-2,5-dimethoxyphenyl)pyrrolidine-1-sulfonamide?
The canonical SMILES for N-(4-chloro-2,5-dimethoxyphenyl)pyrrolidine-1-sulfonamide is COc1cc(NS(=O)(=O)N2CCCC2)c(OC)cc1Cl.
What is the InChIKey of N-(4-chloro-2,5-dimethoxyphenyl)pyrrolidine-1-sulfonamide?
The InChIKey is PXHLJYSQUPYPCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O4S/c1-18-11-8-10(12(19-2)7-9(11)13)14-20(16,17)15-5-3-4-6-15/h7-8,14H,3-6H2,1-2H3.
What are the key properties of N-(4-chloro-2,5-dimethoxyphenyl)pyrrolidine-1-sulfonamide?
N-(4-chloro-2,5-dimethoxyphenyl)pyrrolidine-1-sulfonamide has a molecular weight of 320.80 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2,5-dimethoxyphenyl)pyrrolidine-1-sulfonamide is sourced from PubChem (CID 110705880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).