4-cyclopentyloxy-N-(5-pyrrolidin-1-yl-2-pyridinyl)benzenesulfonamide

C20H25N3O3S — CID 113024414

IUPAC4-cyclopentyloxy-N-(5-pyrrolidin-1-yl-2-pyridinyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(N2CCCC2)cn1)c1ccc(OC2CCCC2)cc1
InChIInChI=1S/C20H25N3O3S/c24-27(25,19-10-8-18(9-11-19)26-17-5-1-2-6-17)22-20-12-7-16(15-21-20)23-13-3-4-14-23/h7-12,15,17H,1-6,13-14H2,(H,21,22)
InChIKeyDVVBSMSSWAKBTD-UHFFFAOYSA-N
MW387.51 g/mol
LogP3.80
Rot. Bonds6

About 4-cyclopentyloxy-N-(5-pyrrolidin-1-yl-2-pyridinyl)benzenesulfonamide

4-cyclopentyloxy-N-(5-pyrrolidin-1-yl-2-pyridinyl)benzenesulfonamide (PubChem CID 113024414) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is 4-cyclopentyloxy-N-(5-pyrrolidin-1-yl-2-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name4-cyclopentyloxy-N-(5-pyrrolidin-1-yl-2-pyridinyl)benzenesulfonamide
PubChem CID113024414
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC Name4-cyclopentyloxy-N-(5-pyrrolidin-1-yl-2-pyridinyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(N2CCCC2)cn1)c1ccc(OC2CCCC2)cc1
InChIInChI=1S/C20H25N3O3S/c24-27(25,19-10-8-18(9-11-19)26-17-5-1-2-6-17)22-20-12-7-16(15-21-20)23-13-3-4-14-23/h7-12,15,17H,1-6,13-14H2,(H,21,22)
InChIKeyDVVBSMSSWAKBTD-UHFFFAOYSA-N
XLogP3.80
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-cyclopentyloxy-N-(6-pyrrolidin-1-ylpyridazin-3-yl)benzenesulfonamide
CID 113038800
4-methyl-N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]benzenesulfonamide
CID 113024884
3,4-dimethyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)benzenesulfonamide
CID 113024384
4-fluoro-3-methyl-N-(5-piperidin-1-yl-2-pyridinyl)benzenesulfonamide
CID 113024649
N-[5-(3-methylpiperidin-1-yl)-2-pyridinyl]-4-propan-2-ylbenzenesulfonamide
CID 113030849
2-(dimethylsulfamoylamino)-5-pyrrolidin-1-ylpyridine
CID 113024377
N-[5-(azepan-1-yl)-2-pyridinyl]-2,4,6-trimethylbenzenesulfonamide
CID 113031108
2-cyclopentyloxy-N-(5-pyrrolidin-1-yl-2-pyridinyl)acetamide
CID 71939990
4-ethyl-N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]benzenesulfonamide
CID 113026011
N-[5-(azepan-1-yl)-2-pyridinyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 113031119
N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 113024892
N-[1-(4-cyanophenyl)piperidin-4-yl]-4-cyclopentyloxybenzenesulfonamide
CID 86869061

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyloxy-N-(5-pyrrolidin-1-yl-2-pyridinyl)benzenesulfonamide?
The IUPAC name of 4-cyclopentyloxy-N-(5-pyrrolidin-1-yl-2-pyridinyl)benzenesulfonamide (CID 113024414) is 4-cyclopentyloxy-N-(5-pyrrolidin-1-yl-2-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 4-cyclopentyloxy-N-(5-pyrrolidin-1-yl-2-pyridinyl)benzenesulfonamide?
The canonical SMILES for 4-cyclopentyloxy-N-(5-pyrrolidin-1-yl-2-pyridinyl)benzenesulfonamide is O=S(=O)(Nc1ccc(N2CCCC2)cn1)c1ccc(OC2CCCC2)cc1.
What is the InChIKey of 4-cyclopentyloxy-N-(5-pyrrolidin-1-yl-2-pyridinyl)benzenesulfonamide?
The InChIKey is DVVBSMSSWAKBTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c24-27(25,19-10-8-18(9-11-19)26-17-5-1-2-6-17)22-20-12-7-16(15-21-20)23-13-3-4-14-23/h7-12,15,17H,1-6,13-14H2,(H,21,22).
What are the key properties of 4-cyclopentyloxy-N-(5-pyrrolidin-1-yl-2-pyridinyl)benzenesulfonamide?
4-cyclopentyloxy-N-(5-pyrrolidin-1-yl-2-pyridinyl)benzenesulfonamide has a molecular weight of 387.51 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyloxy-N-(5-pyrrolidin-1-yl-2-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 113024414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).