1-(3-chloro-4-methoxyphenyl)sulfonyl-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one

C18H25ClN2O4S — CID 163314944

IUPAC1-(3-chloro-4-methoxyphenyl)sulfonyl-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one
SMILESCOc1ccc(S(=O)(=O)N2CCCC23CCCN(C(C)C)C3=O)cc1Cl
InChIInChI=1S/C18H25ClN2O4S/c1-13(2)20-10-4-8-18(17(20)22)9-5-11-21(18)26(23,24)14-6-7-16(25-3)15(19)12-14/h6-7,12-13H,4-5,8-11H2,1-3H3
InChIKeyQYBAORDURXIHMA-UHFFFAOYSA-N
MW400.93 g/mol
LogP2.90
Rot. Bonds4

About 1-(3-chloro-4-methoxyphenyl)sulfonyl-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one

1-(3-chloro-4-methoxyphenyl)sulfonyl-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one (PubChem CID 163314944) has the molecular formula C18H25ClN2O4S and a molecular weight of 400.93 g/mol. Its IUPAC name is 1-(3-chloro-4-methoxyphenyl)sulfonyl-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one.

Molecular Properties

Compound Name1-(3-chloro-4-methoxyphenyl)sulfonyl-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one
PubChem CID163314944
Molecular FormulaC18H25ClN2O4S
Molecular Weight400.93 g/mol
Exact Mass400.12
IUPAC Name1-(3-chloro-4-methoxyphenyl)sulfonyl-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one
SMILESCOc1ccc(S(=O)(=O)N2CCCC23CCCN(C(C)C)C3=O)cc1Cl
InChIInChI=1S/C18H25ClN2O4S/c1-13(2)20-10-4-8-18(17(20)22)9-5-11-21(18)26(23,24)14-6-7-16(25-3)15(19)12-14/h6-7,12-13H,4-5,8-11H2,1-3H3
InChIKeyQYBAORDURXIHMA-UHFFFAOYSA-N
XLogP2.90
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.93
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 115872336
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CID 47387477
1-(3-chloro-4-methoxyphenyl)sulfonyl-2-propan-2-ylpyrrolidine
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CID 126851681
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CID 136533171
4-(3-chloro-4-methoxyphenyl)sulfonyl-1,4-thiazinane 1,1-dioxide
CID 110721471
1-(3-bromo-4-methoxyphenyl)sulfonyl-2,2-dimethylpyrrolidine
CID 63219127
1-(4-chloro-2,5-dimethoxyphenyl)sulfonyl-1,9-diazaspiro[4.5]decan-10-one
CID 163312739
2-(3-chloro-4-methoxyphenyl)sulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 110867911
4-(3-chloro-4-propan-2-yloxyphenyl)sulfonylmorpholine
CID 110758270
9-(2-methoxyethyl)-1-(4-methoxyphenyl)sulfonyl-1,9-diazaspiro[4.5]decan-10-one
CID 162635414
(3S)-1-(3-chloro-4-methoxyphenyl)sulfonyl-N-propan-2-ylpiperidine-3-carboxamide
CID 40650548

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methoxyphenyl)sulfonyl-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one?
The IUPAC name of 1-(3-chloro-4-methoxyphenyl)sulfonyl-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one (CID 163314944) is 1-(3-chloro-4-methoxyphenyl)sulfonyl-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one.
What is the SMILES notation for 1-(3-chloro-4-methoxyphenyl)sulfonyl-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one?
The canonical SMILES for 1-(3-chloro-4-methoxyphenyl)sulfonyl-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one is COc1ccc(S(=O)(=O)N2CCCC23CCCN(C(C)C)C3=O)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methoxyphenyl)sulfonyl-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one?
The InChIKey is QYBAORDURXIHMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2O4S/c1-13(2)20-10-4-8-18(17(20)22)9-5-11-21(18)26(23,24)14-6-7-16(25-3)15(19)12-14/h6-7,12-13H,4-5,8-11H2,1-3H3.
What are the key properties of 1-(3-chloro-4-methoxyphenyl)sulfonyl-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one?
1-(3-chloro-4-methoxyphenyl)sulfonyl-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one has a molecular weight of 400.93 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methoxyphenyl)sulfonyl-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one is sourced from PubChem (CID 163314944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).