9-(3-chloro-2-methylphenyl)sulfonyl-2-(4-methyl-3-pyridinyl)-2,9-diazaspiro[4.5]decan-1-one

C21H24ClN3O3S — CID 11582881

IUPAC9-(3-chloro-2-methylphenyl)sulfonyl-2-(4-methyl-3-pyridinyl)-2,9-diazaspiro[4.5]decan-1-one
SMILESCc1ccncc1N1CCC2(CCCN(S(=O)(=O)c3cccc(Cl)c3C)C2)C1=O
InChIInChI=1S/C21H24ClN3O3S/c1-15-7-10-23-13-18(15)25-12-9-21(20(25)26)8-4-11-24(14-21)29(27,28)19-6-3-5-17(22)16(19)2/h3,5-7,10,13H,4,8-9,11-12,14H2,1-2H3
InChIKeyKCLQRMALJCQVCU-UHFFFAOYSA-N
MW433.96 g/mol
LogP3.56
Rot. Bonds3

About 9-(3-chloro-2-methylphenyl)sulfonyl-2-(4-methyl-3-pyridinyl)-2,9-diazaspiro[4.5]decan-1-one

9-(3-chloro-2-methylphenyl)sulfonyl-2-(4-methyl-3-pyridinyl)-2,9-diazaspiro[4.5]decan-1-one (PubChem CID 11582881) has the molecular formula C21H24ClN3O3S and a molecular weight of 433.96 g/mol. Its IUPAC name is 9-(3-chloro-2-methylphenyl)sulfonyl-2-(4-methyl-3-pyridinyl)-2,9-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name9-(3-chloro-2-methylphenyl)sulfonyl-2-(4-methyl-3-pyridinyl)-2,9-diazaspiro[4.5]decan-1-one
PubChem CID11582881
Molecular FormulaC21H24ClN3O3S
Molecular Weight433.96 g/mol
Exact Mass433.12
IUPAC Name9-(3-chloro-2-methylphenyl)sulfonyl-2-(4-methyl-3-pyridinyl)-2,9-diazaspiro[4.5]decan-1-one
SMILESCc1ccncc1N1CCC2(CCCN(S(=O)(=O)c3cccc(Cl)c3C)C2)C1=O
InChIInChI=1S/C21H24ClN3O3S/c1-15-7-10-23-13-18(15)25-12-9-21(20(25)26)8-4-11-24(14-21)29(27,28)19-6-3-5-17(22)16(19)2/h3,5-7,10,13H,4,8-9,11-12,14H2,1-2H3
InChIKeyKCLQRMALJCQVCU-UHFFFAOYSA-N
XLogP3.56
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.96
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5R)-2-(4-methyl-3-pyridinyl)-9-[5-(trifluoromethyl)-2-pyridinyl]-2,9-diazaspiro[4.5]decan-1-one
CID 58653512
1-(3-chloro-2-methylphenyl)sulfonyl-3-methylpyrrolidine-3-carboxylic acid
CID 63149607
(5R)-7-propan-2-yl-2-pyridin-3-ylsulfonyl-2,7-diazaspiro[4.5]decan-6-one
CID 97138313
(3R)-1-(3-chloro-2-methylphenyl)sulfonyl-3-methyl-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 95088208
3-chloro-4-[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]oxypyridine
CID 119100620
(3S)-1-(3-chloro-2-methylphenyl)sulfonyl-N-[(3-methoxyphenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 95088265
N-[(3S)-1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]pyridine-4-carboxamide
CID 11618123
2-(4-chlorophenyl)-9-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-2,9-diazaspiro[4.5]decan-1-one
CID 23135189
1-(3-chloro-2-methylphenyl)sulfonyl-2-methylpiperidine-2-carboxylic acid
CID 104595678
9-(2,6-difluorophenyl)sulfonyl-2-phenyl-2,9-diazaspiro[4.5]decan-1-one
CID 23135255
(3R)-1-(3-chloro-2-methylphenyl)sulfonyl-N-[(4-methoxyphenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 95088155
9-(4-methylphenyl)sulfonyl-2-(4-phenoxyphenyl)-2,9-diazaspiro[4.5]decan-1-one
CID 69435907

Frequently Asked Questions

What is the IUPAC name of 9-(3-chloro-2-methylphenyl)sulfonyl-2-(4-methyl-3-pyridinyl)-2,9-diazaspiro[4.5]decan-1-one?
The IUPAC name of 9-(3-chloro-2-methylphenyl)sulfonyl-2-(4-methyl-3-pyridinyl)-2,9-diazaspiro[4.5]decan-1-one (CID 11582881) is 9-(3-chloro-2-methylphenyl)sulfonyl-2-(4-methyl-3-pyridinyl)-2,9-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 9-(3-chloro-2-methylphenyl)sulfonyl-2-(4-methyl-3-pyridinyl)-2,9-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 9-(3-chloro-2-methylphenyl)sulfonyl-2-(4-methyl-3-pyridinyl)-2,9-diazaspiro[4.5]decan-1-one is Cc1ccncc1N1CCC2(CCCN(S(=O)(=O)c3cccc(Cl)c3C)C2)C1=O.
What is the InChIKey of 9-(3-chloro-2-methylphenyl)sulfonyl-2-(4-methyl-3-pyridinyl)-2,9-diazaspiro[4.5]decan-1-one?
The InChIKey is KCLQRMALJCQVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O3S/c1-15-7-10-23-13-18(15)25-12-9-21(20(25)26)8-4-11-24(14-21)29(27,28)19-6-3-5-17(22)16(19)2/h3,5-7,10,13H,4,8-9,11-12,14H2,1-2H3.
What are the key properties of 9-(3-chloro-2-methylphenyl)sulfonyl-2-(4-methyl-3-pyridinyl)-2,9-diazaspiro[4.5]decan-1-one?
9-(3-chloro-2-methylphenyl)sulfonyl-2-(4-methyl-3-pyridinyl)-2,9-diazaspiro[4.5]decan-1-one has a molecular weight of 433.96 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-chloro-2-methylphenyl)sulfonyl-2-(4-methyl-3-pyridinyl)-2,9-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 11582881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).