10-(4-chlorophenyl)sulfonyl-2-methyl-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-7-carboxamide

C19H27ClN4O4S — CID 131645269

IUPAC10-(4-chlorophenyl)sulfonyl-2-methyl-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-7-carboxamide
SMILESCC(C)NC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC2(CC(=O)N(C)C2)C1
InChIInChI=1S/C19H27ClN4O4S/c1-14(2)21-18(26)23-8-9-24(13-19(12-23)10-17(25)22(3)11-19)29(27,28)16-6-4-15(20)5-7-16/h4-7,14H,8-13H2,1-3H3,(H,21,26)
InChIKeySRDCBIQJDGUJMT-UHFFFAOYSA-N
MW442.97 g/mol
LogP1.61
Rot. Bonds3

About 10-(4-chlorophenyl)sulfonyl-2-methyl-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-7-carboxamide

10-(4-chlorophenyl)sulfonyl-2-methyl-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-7-carboxamide (PubChem CID 131645269) has the molecular formula C19H27ClN4O4S and a molecular weight of 442.97 g/mol. Its IUPAC name is 10-(4-chlorophenyl)sulfonyl-2-methyl-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-7-carboxamide.

Molecular Properties

Compound Name10-(4-chlorophenyl)sulfonyl-2-methyl-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-7-carboxamide
PubChem CID131645269
Molecular FormulaC19H27ClN4O4S
Molecular Weight442.97 g/mol
Exact Mass442.14
IUPAC Name10-(4-chlorophenyl)sulfonyl-2-methyl-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-7-carboxamide
SMILESCC(C)NC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC2(CC(=O)N(C)C2)C1
InChIInChI=1S/C19H27ClN4O4S/c1-14(2)21-18(26)23-8-9-24(13-19(12-23)10-17(25)22(3)11-19)29(27,28)16-6-4-15(20)5-7-16/h4-7,14H,8-13H2,1-3H3,(H,21,26)
InChIKeySRDCBIQJDGUJMT-UHFFFAOYSA-N
XLogP1.61
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.97
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5S)-7-N-(4-chlorophenyl)-2-methyl-3-oxo-10-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-7,10-dicarboxamide
CID 97439023
(5R)-10-(benzenesulfonyl)-N,N,2-trimethyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-7-carboxamide
CID 97438996
4-(4-chlorophenyl)sulfonyl-N-(1-phenylethyl)piperazine-1-carboxamide
CID 46673692
(5S)-7-N-[(3-methoxyphenyl)methyl]-2-methyl-3-oxo-10-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-7,10-dicarboxamide
CID 97439026
1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-methylpropan-1-one
CID 26202318
N-[(2R)-1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-3-methyl-1-oxobutan-2-yl]acetamide
CID 9496043
N-propan-2-yl-4-(4-propan-2-yloxyphenyl)sulfonylpiperazine-1-carboxamide
CID 110811202
4-(benzenesulfonyl)-N-propan-2-yl-1,4-diazepane-1-carboxamide
CID 110811945
N-propan-2-yl-4-(4-propoxyphenyl)sulfonylpiperazine-1-carboxamide
CID 110811255
tert-butyl 4-(4-chlorophenyl)sulfonylpiperazine-1-carboxylate
CID 2796253
N-tert-butyl-4-(4-chlorophenyl)sulfonylpiperazine-1-carboxamide
CID 110811078
4-(4-chlorophenyl)sulfonyl-1-methylpiperazin-2-one
CID 110708129

Frequently Asked Questions

What is the IUPAC name of 10-(4-chlorophenyl)sulfonyl-2-methyl-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-7-carboxamide?
The IUPAC name of 10-(4-chlorophenyl)sulfonyl-2-methyl-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-7-carboxamide (CID 131645269) is 10-(4-chlorophenyl)sulfonyl-2-methyl-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-7-carboxamide.
What is the SMILES notation for 10-(4-chlorophenyl)sulfonyl-2-methyl-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-7-carboxamide?
The canonical SMILES for 10-(4-chlorophenyl)sulfonyl-2-methyl-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-7-carboxamide is CC(C)NC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC2(CC(=O)N(C)C2)C1.
What is the InChIKey of 10-(4-chlorophenyl)sulfonyl-2-methyl-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-7-carboxamide?
The InChIKey is SRDCBIQJDGUJMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClN4O4S/c1-14(2)21-18(26)23-8-9-24(13-19(12-23)10-17(25)22(3)11-19)29(27,28)16-6-4-15(20)5-7-16/h4-7,14H,8-13H2,1-3H3,(H,21,26).
What are the key properties of 10-(4-chlorophenyl)sulfonyl-2-methyl-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-7-carboxamide?
10-(4-chlorophenyl)sulfonyl-2-methyl-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-7-carboxamide has a molecular weight of 442.97 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4-chlorophenyl)sulfonyl-2-methyl-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-7-carboxamide is sourced from PubChem (CID 131645269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).