N-[4-[(2,3-dimethylphenyl)sulfamoyl]phenyl]piperidine-1-carboxamide

C20H25N3O3S — CID 6459006

IUPACN-[4-[(2,3-dimethylphenyl)sulfamoyl]phenyl]piperidine-1-carboxamide
SMILESCc1cccc(NS(=O)(=O)c2ccc(NC(=O)N3CCCCC3)cc2)c1C
InChIInChI=1S/C20H25N3O3S/c1-15-7-6-8-19(16(15)2)22-27(25,26)18-11-9-17(10-12-18)21-20(24)23-13-4-3-5-14-23/h6-12,22H,3-5,13-14H2,1-2H3,(H,21,24)
InChIKeyUOLIWPOJXNXQIL-UHFFFAOYSA-N
MW387.51 g/mol
LogP4.12
Rot. Bonds4

About N-[4-[(2,3-dimethylphenyl)sulfamoyl]phenyl]piperidine-1-carboxamide

N-[4-[(2,3-dimethylphenyl)sulfamoyl]phenyl]piperidine-1-carboxamide (PubChem CID 6459006) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is N-[4-[(2,3-dimethylphenyl)sulfamoyl]phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[4-[(2,3-dimethylphenyl)sulfamoyl]phenyl]piperidine-1-carboxamide
PubChem CID6459006
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC NameN-[4-[(2,3-dimethylphenyl)sulfamoyl]phenyl]piperidine-1-carboxamide
SMILESCc1cccc(NS(=O)(=O)c2ccc(NC(=O)N3CCCCC3)cc2)c1C
InChIInChI=1S/C20H25N3O3S/c1-15-7-6-8-19(16(15)2)22-27(25,26)18-11-9-17(10-12-18)21-20(24)23-13-4-3-5-14-23/h6-12,22H,3-5,13-14H2,1-2H3,(H,21,24)
InChIKeyUOLIWPOJXNXQIL-UHFFFAOYSA-N
XLogP4.12
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dimethylphenyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 18108586
N-[4-[(2-chlorophenyl)sulfamoyl]phenyl]pyrrolidine-1-carboxamide
CID 7376470
N-[4-[(3-acetylphenyl)sulfamoyl]phenyl]piperidine-1-carboxamide
CID 2985508
N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]piperidine-1-carboxamide
CID 7376472
3-[(2,3-dimethylphenyl)sulfamoyl]-4-methyl-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 3879264
N-[4-(propylsulfamoyl)phenyl]piperidine-1-carboxamide
CID 2987866
N-(4-sulfamoylphenyl)azocane-1-carboxamide
CID 17414007
(3S)-3-N-(2,3-dimethylphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 7206111
4-[(2,3-dimethylphenyl)sulfamoyl]-N-(4-methoxyphenyl)benzamide
CID 9411974
N-(2-methylphenyl)azepane-1-carboxamide
CID 19165583
N-(2,3-dimethylphenyl)-2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 20945178
2-(2,3-dimethylanilino)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 9080738

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,3-dimethylphenyl)sulfamoyl]phenyl]piperidine-1-carboxamide?
The IUPAC name of N-[4-[(2,3-dimethylphenyl)sulfamoyl]phenyl]piperidine-1-carboxamide (CID 6459006) is N-[4-[(2,3-dimethylphenyl)sulfamoyl]phenyl]piperidine-1-carboxamide.
What is the SMILES notation for N-[4-[(2,3-dimethylphenyl)sulfamoyl]phenyl]piperidine-1-carboxamide?
The canonical SMILES for N-[4-[(2,3-dimethylphenyl)sulfamoyl]phenyl]piperidine-1-carboxamide is Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)N3CCCCC3)cc2)c1C.
What is the InChIKey of N-[4-[(2,3-dimethylphenyl)sulfamoyl]phenyl]piperidine-1-carboxamide?
The InChIKey is UOLIWPOJXNXQIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c1-15-7-6-8-19(16(15)2)22-27(25,26)18-11-9-17(10-12-18)21-20(24)23-13-4-3-5-14-23/h6-12,22H,3-5,13-14H2,1-2H3,(H,21,24).
What are the key properties of N-[4-[(2,3-dimethylphenyl)sulfamoyl]phenyl]piperidine-1-carboxamide?
N-[4-[(2,3-dimethylphenyl)sulfamoyl]phenyl]piperidine-1-carboxamide has a molecular weight of 387.51 g/mol, XLogP of 4.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,3-dimethylphenyl)sulfamoyl]phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 6459006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).