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

C23H28ClN3O4S — CID 50944725

IUPAC2-chloro-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-5-pyrrolidin-1-ylsulfonylbenzamide
SMILESCN1CCC(Oc2ccc(NC(=O)c3cc(S(=O)(=O)N4CCCC4)ccc3Cl)cc2)CC1
InChIInChI=1S/C23H28ClN3O4S/c1-26-14-10-19(11-15-26)31-18-6-4-17(5-7-18)25-23(28)21-16-20(8-9-22(21)24)32(29,30)27-12-2-3-13-27/h4-9,16,19H,2-3,10-15H2,1H3,(H,25,28)
InChIKeyCKGSSBIUXFMBBR-UHFFFAOYSA-N
MW478.01 g/mol
LogP3.85
Rot. Bonds6

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

2-chloro-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-5-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 50944725) has the molecular formula C23H28ClN3O4S and a molecular weight of 478.01 g/mol. Its IUPAC name is 2-chloro-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-5-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound Name2-chloro-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-5-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID50944725
Molecular FormulaC23H28ClN3O4S
Molecular Weight478.01 g/mol
Exact Mass477.15
IUPAC Name2-chloro-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-5-pyrrolidin-1-ylsulfonylbenzamide
SMILESCN1CCC(Oc2ccc(NC(=O)c3cc(S(=O)(=O)N4CCCC4)ccc3Cl)cc2)CC1
InChIInChI=1S/C23H28ClN3O4S/c1-26-14-10-19(11-15-26)31-18-6-4-17(5-7-18)25-23(28)21-16-20(8-9-22(21)24)32(29,30)27-12-2-3-13-27/h4-9,16,19H,2-3,10-15H2,1H3,(H,25,28)
InChIKeyCKGSSBIUXFMBBR-UHFFFAOYSA-N
XLogP3.85
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.01
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-5-morpholin-4-ylsulfonylbenzamide
CID 56700334
2-chloro-N-(4-cyclopentyloxyphenyl)-5-piperidin-1-ylsulfonylbenzamide
CID 46570003
2-chloro-N-(3-cyclopentyloxyphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 55563879
methyl 2-chloro-5-[(2-chloro-5-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzoate
CID 38238302
2-chloro-N-[4-(4-methylpiperidin-1-yl)phenyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 55389012
3,5-dichloro-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]benzamide
CID 171152518
2-chloro-5-(4-methylpiperazin-1-yl)sulfonyl-N-(4-propan-2-ylphenyl)benzamide
CID 99969341
2-chloro-N-[4-(4-methylpiperidin-1-yl)phenyl]-5-piperidin-1-ylsulfonylbenzamide
CID 46387444
3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]propanamide
CID 100766357
(3R)-1-(4-methylphenyl)sulfonyl-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]piperidine-3-carboxamide
CID 100666928
2-chloro-N-[4-[methoxy(methyl)sulfamoyl]phenyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 55389383
2-chloro-N-(3-chloro-4-methoxyphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 26822918

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-5-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of 2-chloro-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-5-pyrrolidin-1-ylsulfonylbenzamide (CID 50944725) is 2-chloro-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-5-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for 2-chloro-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-5-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for 2-chloro-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-5-pyrrolidin-1-ylsulfonylbenzamide is CN1CCC(Oc2ccc(NC(=O)c3cc(S(=O)(=O)N4CCCC4)ccc3Cl)cc2)CC1.
What is the InChIKey of 2-chloro-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-5-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is CKGSSBIUXFMBBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN3O4S/c1-26-14-10-19(11-15-26)31-18-6-4-17(5-7-18)25-23(28)21-16-20(8-9-22(21)24)32(29,30)27-12-2-3-13-27/h4-9,16,19H,2-3,10-15H2,1H3,(H,25,28).
What are the key properties of 2-chloro-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-5-pyrrolidin-1-ylsulfonylbenzamide?
2-chloro-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-5-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 478.01 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-5-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 50944725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).