2-chloro-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-5-morpholin-4-ylsulfonylbenzamide

C23H28ClN3O5S — CID 56700334

IUPAC2-chloro-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-5-morpholin-4-ylsulfonylbenzamide
SMILESCN1CCC(Oc2ccc(NC(=O)c3cc(S(=O)(=O)N4CCOCC4)ccc3Cl)cc2)CC1
InChIInChI=1S/C23H28ClN3O5S/c1-26-10-8-19(9-11-26)32-18-4-2-17(3-5-18)25-23(28)21-16-20(6-7-22(21)24)33(29,30)27-12-14-31-15-13-27/h2-7,16,19H,8-15H2,1H3,(H,25,28)
InChIKeyLZJBYCKNORAPGB-UHFFFAOYSA-N
MW494.01 g/mol
LogP3.09
Rot. Bonds6

About 2-chloro-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-5-morpholin-4-ylsulfonylbenzamide

2-chloro-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-5-morpholin-4-ylsulfonylbenzamide (PubChem CID 56700334) has the molecular formula C23H28ClN3O5S and a molecular weight of 494.01 g/mol. Its IUPAC name is 2-chloro-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-5-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound Name2-chloro-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-5-morpholin-4-ylsulfonylbenzamide
PubChem CID56700334
Molecular FormulaC23H28ClN3O5S
Molecular Weight494.01 g/mol
Exact Mass493.14
IUPAC Name2-chloro-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-5-morpholin-4-ylsulfonylbenzamide
SMILESCN1CCC(Oc2ccc(NC(=O)c3cc(S(=O)(=O)N4CCOCC4)ccc3Cl)cc2)CC1
InChIInChI=1S/C23H28ClN3O5S/c1-26-10-8-19(9-11-26)32-18-4-2-17(3-5-18)25-23(28)21-16-20(6-7-22(21)24)33(29,30)27-12-14-31-15-13-27/h2-7,16,19H,8-15H2,1H3,(H,25,28)
InChIKeyLZJBYCKNORAPGB-UHFFFAOYSA-N
XLogP3.09
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.01
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 50944725
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CID 46570003
2-chloro-N-(1-methylpiperidin-4-yl)-5-morpholin-4-ylsulfonylbenzamide
CID 50946940
2-chloro-N-(3,4-dimethoxyphenyl)-5-morpholin-4-ylsulfonylbenzamide
CID 26364799
2-chloro-N-(3-chloro-4-methoxyphenyl)-5-morpholin-4-ylsulfonylbenzamide
CID 26822987
2-chloro-N-(3,5-dichlorophenyl)-5-morpholin-4-ylsulfonylbenzamide
CID 26591526
2-chloro-N-(3-methylphenyl)-5-morpholin-4-ylsulfonylbenzamide
CID 1119039
2-chloro-5-(4-methylpiperazin-1-yl)sulfonyl-N-(4-propan-2-ylphenyl)benzamide
CID 99969341
2-chloro-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-5-morpholin-4-ylsulfonylbenzamide
CID 43882611
2-chloro-N-methyl-N-(1-methylpiperidin-4-yl)-5-morpholin-4-ylsulfonylbenzamide
CID 2426270
2-chloro-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]-5-morpholin-4-ylsulfonylbenzamide
CID 43882607
2-chloro-N-(5-chloro-2,4-dimethoxyphenyl)-5-morpholin-4-ylsulfonylbenzamide
CID 26210560

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-5-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of 2-chloro-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-5-morpholin-4-ylsulfonylbenzamide (CID 56700334) is 2-chloro-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-5-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for 2-chloro-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-5-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for 2-chloro-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-5-morpholin-4-ylsulfonylbenzamide is CN1CCC(Oc2ccc(NC(=O)c3cc(S(=O)(=O)N4CCOCC4)ccc3Cl)cc2)CC1.
What is the InChIKey of 2-chloro-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-5-morpholin-4-ylsulfonylbenzamide?
The InChIKey is LZJBYCKNORAPGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN3O5S/c1-26-10-8-19(9-11-26)32-18-4-2-17(3-5-18)25-23(28)21-16-20(6-7-22(21)24)33(29,30)27-12-14-31-15-13-27/h2-7,16,19H,8-15H2,1H3,(H,25,28).
What are the key properties of 2-chloro-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-5-morpholin-4-ylsulfonylbenzamide?
2-chloro-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-5-morpholin-4-ylsulfonylbenzamide has a molecular weight of 494.01 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-5-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 56700334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).