N-(4-chlorophenyl)sulfonyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide

C20H21ClN4O4S — CID 25038993

IUPACN-(4-chlorophenyl)sulfonyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide
SMILESO=C(NS(=O)(=O)c1ccc(Cl)cc1)N1CCC2(CC1)C(=O)NCN2c1ccccc1
InChIInChI=1S/C20H21ClN4O4S/c21-15-6-8-17(9-7-15)30(28,29)23-19(27)24-12-10-20(11-13-24)18(26)22-14-25(20)16-4-2-1-3-5-16/h1-9H,10-14H2,(H,22,26)(H,23,27)
InChIKeyROENJBHDZLAQHW-UHFFFAOYSA-N
MW448.93 g/mol
LogP2.17
Rot. Bonds3

About N-(4-chlorophenyl)sulfonyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide

N-(4-chlorophenyl)sulfonyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide (PubChem CID 25038993) has the molecular formula C20H21ClN4O4S and a molecular weight of 448.93 g/mol. Its IUPAC name is N-(4-chlorophenyl)sulfonyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)sulfonyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide
PubChem CID25038993
Molecular FormulaC20H21ClN4O4S
Molecular Weight448.93 g/mol
Exact Mass448.10
IUPAC NameN-(4-chlorophenyl)sulfonyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide
SMILESO=C(NS(=O)(=O)c1ccc(Cl)cc1)N1CCC2(CC1)C(=O)NCN2c1ccccc1
InChIInChI=1S/C20H21ClN4O4S/c21-15-6-8-17(9-7-15)30(28,29)23-19(27)24-12-10-20(11-13-24)18(26)22-14-25(20)16-4-2-1-3-5-16/h1-9H,10-14H2,(H,22,26)(H,23,27)
InChIKeyROENJBHDZLAQHW-UHFFFAOYSA-N
XLogP2.17
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.93
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

8-(4-chlorobenzoyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;2,2,2-trifluoroacetic acid
CID 53470052
8-(2,2-diphenylacetyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 141234209
(Z)-4-oxo-4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)but-2-enoic acid
CID 45109158
N-(2-chlorophenyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carbothioamide
CID 3745737
4-oxo-N-(2-phenoxyphenyl)-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide
CID 24735797
8-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 23377559
8-(naphthalene-2-carbonyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 10156925
4-oxo-1-phenyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)-1,3,8-triazaspiro[4.5]decane-8-carboxamide
CID 22559572
8-(2-chloro-6-methylphenyl)sulfonyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 6737002
8-(1H-indole-5-carbonyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 11682270
8-(3-chloropropyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 21453222
8-(3-bromophenyl)sulfonyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)sulfonyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide?
The IUPAC name of N-(4-chlorophenyl)sulfonyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide (CID 25038993) is N-(4-chlorophenyl)sulfonyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)sulfonyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)sulfonyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide is O=C(NS(=O)(=O)c1ccc(Cl)cc1)N1CCC2(CC1)C(=O)NCN2c1ccccc1.
What is the InChIKey of N-(4-chlorophenyl)sulfonyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide?
The InChIKey is ROENJBHDZLAQHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O4S/c21-15-6-8-17(9-7-15)30(28,29)23-19(27)24-12-10-20(11-13-24)18(26)22-14-25(20)16-4-2-1-3-5-16/h1-9H,10-14H2,(H,22,26)(H,23,27).
What are the key properties of N-(4-chlorophenyl)sulfonyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide?
N-(4-chlorophenyl)sulfonyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide has a molecular weight of 448.93 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)sulfonyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 25038993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).