2-chloro-5-piperidin-1-ylsulfonyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide

C22H22ClN5O5S2 — CID 43876591

IUPAC2-chloro-5-piperidin-1-ylsulfonyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl
InChIInChI=1S/C22H22ClN5O5S2/c23-20-10-9-18(35(32,33)28-13-2-1-3-14-28)15-19(20)21(29)26-16-5-7-17(8-6-16)34(30,31)27-22-24-11-4-12-25-22/h4-12,15H,1-3,13-14H2,(H,26,29)(H,24,25,27)
InChIKeyCJLMFYUIKPRYRZ-UHFFFAOYSA-N
MW536.04 g/mol
LogP3.36
Rot. Bonds7

About 2-chloro-5-piperidin-1-ylsulfonyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide

2-chloro-5-piperidin-1-ylsulfonyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide (PubChem CID 43876591) has the molecular formula C22H22ClN5O5S2 and a molecular weight of 536.04 g/mol. Its IUPAC name is 2-chloro-5-piperidin-1-ylsulfonyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-5-piperidin-1-ylsulfonyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
PubChem CID43876591
Molecular FormulaC22H22ClN5O5S2
Molecular Weight536.04 g/mol
Exact Mass535.08
IUPAC Name2-chloro-5-piperidin-1-ylsulfonyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl
InChIInChI=1S/C22H22ClN5O5S2/c23-20-10-9-18(35(32,33)28-13-2-1-3-14-28)15-19(20)21(29)26-16-5-7-17(8-6-16)34(30,31)27-22-24-11-4-12-25-22/h4-12,15H,1-3,13-14H2,(H,26,29)(H,24,25,27)
InChIKeyCJLMFYUIKPRYRZ-UHFFFAOYSA-N
XLogP3.36
TPSA138.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.04
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-chloro-5-morpholin-4-ylsulfonyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
CID 99942897
2-chloro-N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 43882584
N-(4-benzamidophenyl)-2-chloro-5-piperidin-1-ylsulfonylbenzamide
CID 1240122
5-(azepan-1-ylsulfonyl)-2-chloro-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]benzamide
CID 43882630
2,5-dichloro-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 3387472
5-(azepan-1-ylsulfonyl)-N-(4-chlorophenyl)-2-fluorobenzamide
CID 4085587
2-chloro-N-(4-cyclopentyloxyphenyl)-5-piperidin-1-ylsulfonylbenzamide
CID 46570003
N-[4-[(5-chloro-2-methylphenyl)sulfamoyl]phenyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 43882515
methyl 2-chloro-5-[(2-chloro-5-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzoate
CID 38238302
2-chloro-N-(3-methylphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 9341600
3-[(2-chloro-5-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzoic acid
CID 1315383
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-chloro-5-piperidin-1-ylsulfonylbenzamide
CID 26264651

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-piperidin-1-ylsulfonyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide?
The IUPAC name of 2-chloro-5-piperidin-1-ylsulfonyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide (CID 43876591) is 2-chloro-5-piperidin-1-ylsulfonyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide.
What is the SMILES notation for 2-chloro-5-piperidin-1-ylsulfonyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide?
The canonical SMILES for 2-chloro-5-piperidin-1-ylsulfonyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide is O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl.
What is the InChIKey of 2-chloro-5-piperidin-1-ylsulfonyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide?
The InChIKey is CJLMFYUIKPRYRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN5O5S2/c23-20-10-9-18(35(32,33)28-13-2-1-3-14-28)15-19(20)21(29)26-16-5-7-17(8-6-16)34(30,31)27-22-24-11-4-12-25-22/h4-12,15H,1-3,13-14H2,(H,26,29)(H,24,25,27).
What are the key properties of 2-chloro-5-piperidin-1-ylsulfonyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide?
2-chloro-5-piperidin-1-ylsulfonyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide has a molecular weight of 536.04 g/mol, XLogP of 3.36, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-piperidin-1-ylsulfonyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide is sourced from PubChem (CID 43876591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).