2-chloro-5-morpholin-4-ylsulfonyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide

C20H30ClN3O4S — CID 2343813

IUPAC2-chloro-5-morpholin-4-ylsulfonyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
SMILESCC1(C)CC(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)CC(C)(C)N1
InChIInChI=1S/C20H30ClN3O4S/c1-19(2)12-14(13-20(3,4)23-19)22-18(25)16-11-15(5-6-17(16)21)29(26,27)24-7-9-28-10-8-24/h5-6,11,14,23H,7-10,12-13H2,1-4H3,(H,22,25)
InChIKeyXURFPWADZHHLCO-UHFFFAOYSA-N
MW444.00 g/mol
LogP2.40
Rot. Bonds4

About 2-chloro-5-morpholin-4-ylsulfonyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide

2-chloro-5-morpholin-4-ylsulfonyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide (PubChem CID 2343813) has the molecular formula C20H30ClN3O4S and a molecular weight of 444.00 g/mol. Its IUPAC name is 2-chloro-5-morpholin-4-ylsulfonyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name2-chloro-5-morpholin-4-ylsulfonyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
PubChem CID2343813
Molecular FormulaC20H30ClN3O4S
Molecular Weight444.00 g/mol
Exact Mass443.16
IUPAC Name2-chloro-5-morpholin-4-ylsulfonyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
SMILESCC1(C)CC(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)CC(C)(C)N1
InChIInChI=1S/C20H30ClN3O4S/c1-19(2)12-14(13-20(3,4)23-19)22-18(25)16-11-15(5-6-17(16)21)29(26,27)24-7-9-28-10-8-24/h5-6,11,14,23H,7-10,12-13H2,1-4H3,(H,22,25)
InChIKeyXURFPWADZHHLCO-UHFFFAOYSA-N
XLogP2.40
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.00
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-(1-methylpiperidin-4-yl)-5-morpholin-4-ylsulfonylbenzamide
CID 50946940
2-chloro-N',N'-dimethyl-5-morpholin-4-ylsulfonylbenzohydrazide
CID 9163691
methyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate
CID 779059
N-cyclopropyl-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 26736864
2-methyl-N-(4-methylcyclohexyl)-5-morpholin-4-ylsulfonylbenzamide
CID 2675099
2-chloro-N-(3,5-dichlorophenyl)-5-morpholin-4-ylsulfonylbenzamide
CID 26591526
2-chloro-5-(4-methylpiperazin-1-yl)sulfonyl-N-(1-methylpiperidin-4-yl)benzamide
CID 56699203
2-chloro-5-morpholin-4-ylsulfonyl-N-[2-(trifluoromethyl)cyclohexyl]benzamide
CID 43046761
5-(azepan-1-ylsulfonyl)-2-chloro-N-cyclopentylbenzamide
CID 46387464
2-methoxy-5-morpholin-4-ylsulfonyl-N-pyrrolidin-3-ylbenzamide
CID 119450765
2-chloro-N-(5-chloro-2,4-dimethoxyphenyl)-5-morpholin-4-ylsulfonylbenzamide
CID 26210560
2-chloro-N-cyclohexyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 28591311

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-morpholin-4-ylsulfonyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide?
The IUPAC name of 2-chloro-5-morpholin-4-ylsulfonyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide (CID 2343813) is 2-chloro-5-morpholin-4-ylsulfonyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide.
What is the SMILES notation for 2-chloro-5-morpholin-4-ylsulfonyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide?
The canonical SMILES for 2-chloro-5-morpholin-4-ylsulfonyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide is CC1(C)CC(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)CC(C)(C)N1.
What is the InChIKey of 2-chloro-5-morpholin-4-ylsulfonyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide?
The InChIKey is XURFPWADZHHLCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30ClN3O4S/c1-19(2)12-14(13-20(3,4)23-19)22-18(25)16-11-15(5-6-17(16)21)29(26,27)24-7-9-28-10-8-24/h5-6,11,14,23H,7-10,12-13H2,1-4H3,(H,22,25).
What are the key properties of 2-chloro-5-morpholin-4-ylsulfonyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide?
2-chloro-5-morpholin-4-ylsulfonyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide has a molecular weight of 444.00 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-morpholin-4-ylsulfonyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide is sourced from PubChem (CID 2343813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).