6-chloro-N-[2-oxo-2-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decan-2-yl)ethyl]naphthalene-2-sulfonamide

C25H27ClN4O3S — CID 11605719

IUPAC6-chloro-N-[2-oxo-2-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decan-2-yl)ethyl]naphthalene-2-sulfonamide
SMILESO=C(CNS(=O)(=O)c1ccc2cc(Cl)ccc2c1)N1CCC2(CCN(c3ccncc3)CC2)C1
InChIInChI=1S/C25H27ClN4O3S/c26-21-3-1-20-16-23(4-2-19(20)15-21)34(32,33)28-17-24(31)30-14-9-25(18-30)7-12-29(13-8-25)22-5-10-27-11-6-22/h1-6,10-11,15-16,28H,7-9,12-14,17-18H2
InChIKeyWHXHFYPMURNYDJ-UHFFFAOYSA-N
MW499.04 g/mol
LogP3.69
Rot. Bonds5

About 6-chloro-N-[2-oxo-2-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decan-2-yl)ethyl]naphthalene-2-sulfonamide

6-chloro-N-[2-oxo-2-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decan-2-yl)ethyl]naphthalene-2-sulfonamide (PubChem CID 11605719) has the molecular formula C25H27ClN4O3S and a molecular weight of 499.04 g/mol. Its IUPAC name is 6-chloro-N-[2-oxo-2-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decan-2-yl)ethyl]naphthalene-2-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-[2-oxo-2-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decan-2-yl)ethyl]naphthalene-2-sulfonamide
PubChem CID11605719
Molecular FormulaC25H27ClN4O3S
Molecular Weight499.04 g/mol
Exact Mass498.15
IUPAC Name6-chloro-N-[2-oxo-2-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decan-2-yl)ethyl]naphthalene-2-sulfonamide
SMILESO=C(CNS(=O)(=O)c1ccc2cc(Cl)ccc2c1)N1CCC2(CCN(c3ccncc3)CC2)C1
InChIInChI=1S/C25H27ClN4O3S/c26-21-3-1-20-16-23(4-2-19(20)15-21)34(32,33)28-17-24(31)30-14-9-25(18-30)7-12-29(13-8-25)22-5-10-27-11-6-22/h1-6,10-11,15-16,28H,7-9,12-14,17-18H2
InChIKeyWHXHFYPMURNYDJ-UHFFFAOYSA-N
XLogP3.69
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.04
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(6-chloronaphthalen-2-yl)sulfonylamino]acetamide
CID 70140824
methyl 4-[[4-(6-chloronaphthalen-2-yl)sulfonyl-2-oxopiperazin-1-yl]methyl]-1-pyridin-4-ylpiperidine-4-carboxylate;hydrochloride
CID 23447475
3,4-dimethyl-N-[2-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)-2-oxoethyl]benzenesulfonamide
CID 166235723
4-(6-chloronaphthalen-2-yl)sulfonyl-1-[[4-(hydroxymethyl)-1-pyridin-4-ylpiperidin-4-yl]methyl]piperazin-2-one
CID 5289586
2-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-4-sulfonamide
CID 113405985
N-[2-(azepan-1-yl)-2-oxoethyl]-4-chlorobenzenesulfonamide
CID 112995974
ethyl 7-(6-chloronaphthalen-2-yl)sulfonyl-5-oxo-1'-pyridin-4-ylspiro[6,8-dihydro-3H-[1,3]oxazolo[3,2-a]pyrazine-2,4'-piperidine]-8a-carboxylate
CID 11753561
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-3,4-dichlorobenzenesulfonamide
CID 112991971
3,4-dichloro-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide
CID 60894571
4-chloro-N-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]pyridine-2-carboxamide
CID 9255619
N-[[4-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-3-carbonyl)-1H-benzimidazol-2-yl]methyl]benzenesulfonamide
CID 123778350
2-[[4-(6-chloronaphthalen-2-yl)sulfonyl-2-oxopiperazin-1-yl]-(4-pyridin-4-ylpiperazin-1-yl)amino]acetic acid
CID 22727182

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-oxo-2-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decan-2-yl)ethyl]naphthalene-2-sulfonamide?
The IUPAC name of 6-chloro-N-[2-oxo-2-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decan-2-yl)ethyl]naphthalene-2-sulfonamide (CID 11605719) is 6-chloro-N-[2-oxo-2-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decan-2-yl)ethyl]naphthalene-2-sulfonamide.
What is the SMILES notation for 6-chloro-N-[2-oxo-2-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decan-2-yl)ethyl]naphthalene-2-sulfonamide?
The canonical SMILES for 6-chloro-N-[2-oxo-2-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decan-2-yl)ethyl]naphthalene-2-sulfonamide is O=C(CNS(=O)(=O)c1ccc2cc(Cl)ccc2c1)N1CCC2(CCN(c3ccncc3)CC2)C1.
What is the InChIKey of 6-chloro-N-[2-oxo-2-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decan-2-yl)ethyl]naphthalene-2-sulfonamide?
The InChIKey is WHXHFYPMURNYDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClN4O3S/c26-21-3-1-20-16-23(4-2-19(20)15-21)34(32,33)28-17-24(31)30-14-9-25(18-30)7-12-29(13-8-25)22-5-10-27-11-6-22/h1-6,10-11,15-16,28H,7-9,12-14,17-18H2.
What are the key properties of 6-chloro-N-[2-oxo-2-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decan-2-yl)ethyl]naphthalene-2-sulfonamide?
6-chloro-N-[2-oxo-2-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decan-2-yl)ethyl]naphthalene-2-sulfonamide has a molecular weight of 499.04 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-oxo-2-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decan-2-yl)ethyl]naphthalene-2-sulfonamide is sourced from PubChem (CID 11605719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).