5-chloro-2-methoxy-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzenesulfonamide

C16H18ClN3O3S — CID 113009843

IUPAC5-chloro-2-methoxy-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(N2CCCC2)nc1
InChIInChI=1S/C16H18ClN3O3S/c1-23-14-6-4-12(17)10-15(14)24(21,22)19-13-5-7-16(18-11-13)20-8-2-3-9-20/h4-7,10-11,19H,2-3,8-9H2,1H3
InChIKeyYXYSVCABYDAZCS-UHFFFAOYSA-N
MW367.86 g/mol
LogP3.14
Rot. Bonds5

About 5-chloro-2-methoxy-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzenesulfonamide

5-chloro-2-methoxy-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzenesulfonamide (PubChem CID 113009843) has the molecular formula C16H18ClN3O3S and a molecular weight of 367.86 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzenesulfonamide
PubChem CID113009843
Molecular FormulaC16H18ClN3O3S
Molecular Weight367.86 g/mol
Exact Mass367.08
IUPAC Name5-chloro-2-methoxy-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(N2CCCC2)nc1
InChIInChI=1S/C16H18ClN3O3S/c1-23-14-6-4-12(17)10-15(14)24(21,22)19-13-5-7-16(18-11-13)20-8-2-3-9-20/h4-7,10-11,19H,2-3,8-9H2,1H3
InChIKeyYXYSVCABYDAZCS-UHFFFAOYSA-N
XLogP3.14
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.86
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(azepan-1-yl)-3-pyridinyl]-2-methoxy-5-methylbenzenesulfonamide
CID 113015954
5-chloro-2-methoxy-N-(2-piperidin-1-ylpyrimidin-5-yl)benzenesulfonamide
CID 122298753
N-[4-(azepan-1-yl)phenyl]-5-chloro-2-methoxybenzenesulfonamide
CID 112985795
2,4-dimethoxy-N-(6-piperidin-1-yl-3-pyridinyl)benzenesulfonamide
CID 113010011
N-[6-(azepan-1-yl)-3-pyridinyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 113015961
5-chloro-2-methoxy-N-(6-methoxy-3-pyridinyl)benzenesulfonamide
CID 3476038
2,5-dimethoxy-N-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]benzenesulfonamide
CID 113010195
2,5-dimethoxy-N-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]benzenesulfonamide
CID 113015691
5-chloro-N-(3,4-dimethoxyphenyl)-2-methoxybenzenesulfonamide
CID 3706982
5-fluoro-2-methoxy-N-(2-piperidin-1-ylpyrimidin-5-yl)benzenesulfonamide
CID 122298710
5-chloro-2-methoxy-N-(6-morpholin-4-ylpyridazin-3-yl)benzenesulfonamide
CID 113039759
5-chloro-N-(5-chloro-2-pyridinyl)-2-methoxybenzenesulfonamide
CID 839351

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzenesulfonamide?
The IUPAC name of 5-chloro-2-methoxy-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzenesulfonamide (CID 113009843) is 5-chloro-2-methoxy-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzenesulfonamide?
The canonical SMILES for 5-chloro-2-methoxy-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzenesulfonamide is COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(N2CCCC2)nc1.
What is the InChIKey of 5-chloro-2-methoxy-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzenesulfonamide?
The InChIKey is YXYSVCABYDAZCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O3S/c1-23-14-6-4-12(17)10-15(14)24(21,22)19-13-5-7-16(18-11-13)20-8-2-3-9-20/h4-7,10-11,19H,2-3,8-9H2,1H3.
What are the key properties of 5-chloro-2-methoxy-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzenesulfonamide?
5-chloro-2-methoxy-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzenesulfonamide has a molecular weight of 367.86 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 113009843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).