1-[(4-chlorophenyl)methylsulfonyl]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]piperidine-4-carboxamide

C24H26ClN5O5S2 — CID 99952302

IUPAC1-[(4-chlorophenyl)methylsulfonyl]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]piperidine-4-carboxamide
SMILESCc1ccnc(NS(=O)(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)Cc4ccc(Cl)cc4)CC3)cc2)n1
InChIInChI=1S/C24H26ClN5O5S2/c1-17-10-13-26-24(27-17)29-37(34,35)22-8-6-21(7-9-22)28-23(31)19-11-14-30(15-12-19)36(32,33)16-18-2-4-20(25)5-3-18/h2-10,13,19H,11-12,14-16H2,1H3,(H,28,31)(H,26,27,29)
InChIKeyWWEVCGVPTIGWHN-UHFFFAOYSA-N
MW564.09 g/mol
LogP3.42
Rot. Bonds8

About 1-[(4-chlorophenyl)methylsulfonyl]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]piperidine-4-carboxamide

1-[(4-chlorophenyl)methylsulfonyl]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]piperidine-4-carboxamide (PubChem CID 99952302) has the molecular formula C24H26ClN5O5S2 and a molecular weight of 564.09 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methylsulfonyl]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methylsulfonyl]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]piperidine-4-carboxamide
PubChem CID99952302
Molecular FormulaC24H26ClN5O5S2
Molecular Weight564.09 g/mol
Exact Mass563.11
IUPAC Name1-[(4-chlorophenyl)methylsulfonyl]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]piperidine-4-carboxamide
SMILESCc1ccnc(NS(=O)(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)Cc4ccc(Cl)cc4)CC3)cc2)n1
InChIInChI=1S/C24H26ClN5O5S2/c1-17-10-13-26-24(27-17)29-37(34,35)22-8-6-21(7-9-22)28-23(31)19-11-14-30(15-12-19)36(32,33)16-18-2-4-20(25)5-3-18/h2-10,13,19H,11-12,14-16H2,1H3,(H,28,31)(H,26,27,29)
InChIKeyWWEVCGVPTIGWHN-UHFFFAOYSA-N
XLogP3.42
TPSA138.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500564.09
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(4-chlorophenyl)methylsulfonyl]-N-[4-(pyridin-3-ylsulfamoyl)phenyl]piperidine-4-carboxamide
CID 99940759
1-(2,2-dimethylpropanoyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]piperidine-4-carboxamide
CID 17224394
2-[(4-chlorophenyl)methylsulfonyl]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide
CID 17225176
N-(3-chloro-4-methylphenyl)-1-[(4-chlorophenyl)methylsulfonyl]piperidine-4-carboxamide
CID 92642585
1-[(4-methylphenyl)methylsulfonyl]-N-[4-(pyridin-3-ylsulfamoyl)phenyl]piperidine-4-carboxamide
CID 43909876
1-[(4-bromophenyl)methylsulfonyl]-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]piperidine-4-carboxamide
CID 99940101
N-(4-chlorophenyl)-1-ethylsulfonylpiperidine-4-carboxamide
CID 17027094
4-chloro-N-(4-methylpyrimidin-2-yl)benzenesulfonamide
CID 6465342
1-[(4-bromophenyl)methylsulfonyl]-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]piperidine-4-carboxamide
CID 43876150
1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[4-(pyridin-3-ylsulfamoyl)phenyl]piperidine-4-carboxamide
CID 43885429
(3R)-1-tert-butyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 29450765
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 45021390

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methylsulfonyl]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(4-chlorophenyl)methylsulfonyl]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]piperidine-4-carboxamide (CID 99952302) is 1-[(4-chlorophenyl)methylsulfonyl]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(4-chlorophenyl)methylsulfonyl]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(4-chlorophenyl)methylsulfonyl]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]piperidine-4-carboxamide is Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)Cc4ccc(Cl)cc4)CC3)cc2)n1.
What is the InChIKey of 1-[(4-chlorophenyl)methylsulfonyl]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]piperidine-4-carboxamide?
The InChIKey is WWEVCGVPTIGWHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN5O5S2/c1-17-10-13-26-24(27-17)29-37(34,35)22-8-6-21(7-9-22)28-23(31)19-11-14-30(15-12-19)36(32,33)16-18-2-4-20(25)5-3-18/h2-10,13,19H,11-12,14-16H2,1H3,(H,28,31)(H,26,27,29).
What are the key properties of 1-[(4-chlorophenyl)methylsulfonyl]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]piperidine-4-carboxamide?
1-[(4-chlorophenyl)methylsulfonyl]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]piperidine-4-carboxamide has a molecular weight of 564.09 g/mol, XLogP of 3.42, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methylsulfonyl]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 99952302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).