(2R)-N-(2-methoxy-5-sulfamoylphenyl)piperidine-2-carboxamide

C13H19N3O4S — CID 104913098

IUPAC(2R)-N-(2-methoxy-5-sulfamoylphenyl)piperidine-2-carboxamide
SMILESCOc1ccc(S(N)(=O)=O)cc1NC(=O)[C@H]1CCCCN1
InChIInChI=1S/C13H19N3O4S/c1-20-12-6-5-9(21(14,18)19)8-11(12)16-13(17)10-4-2-3-7-15-10/h5-6,8,10,15H,2-4,7H2,1H3,(H,16,17)(H2,14,18,19)/t10-/m1/s1
InChIKeyYOHZXVKZRGQHES-SNVBAGLBSA-N
MW313.38 g/mol
LogP0.42
Rot. Bonds4

About (2R)-N-(2-methoxy-5-sulfamoylphenyl)piperidine-2-carboxamide

(2R)-N-(2-methoxy-5-sulfamoylphenyl)piperidine-2-carboxamide (PubChem CID 104913098) has the molecular formula C13H19N3O4S and a molecular weight of 313.38 g/mol. Its IUPAC name is (2R)-N-(2-methoxy-5-sulfamoylphenyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(2-methoxy-5-sulfamoylphenyl)piperidine-2-carboxamide
PubChem CID104913098
Molecular FormulaC13H19N3O4S
Molecular Weight313.38 g/mol
Exact Mass313.11
IUPAC Name(2R)-N-(2-methoxy-5-sulfamoylphenyl)piperidine-2-carboxamide
SMILESCOc1ccc(S(N)(=O)=O)cc1NC(=O)[C@H]1CCCCN1
InChIInChI=1S/C13H19N3O4S/c1-20-12-6-5-9(21(14,18)19)8-11(12)16-13(17)10-4-2-3-7-15-10/h5-6,8,10,15H,2-4,7H2,1H3,(H,16,17)(H2,14,18,19)/t10-/m1/s1
InChIKeyYOHZXVKZRGQHES-SNVBAGLBSA-N
XLogP0.42
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-(azepane-2-carbonylamino)-4-methoxybenzoic acid
CID 64568363
2-amino-N-(2-methoxy-5-sulfamoylphenyl)cyclopentane-1-carboxamide
CID 64822574
N-(2-methoxy-5-sulfamoylphenyl)-2-methylcyclopropane-1-carboxamide
CID 47154229
N-(2-hydroxy-5-methylsulfonylphenyl)azepane-2-carboxamide
CID 81421925
N-(2-methyl-5-methylsulfonylphenyl)piperidine-2-carboxamide
CID 43703422
trans-(1R,2R)-2-[(2-methoxy-5-sulfamoylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 129365678
N-[4-(methanesulfonamido)-3-methoxyphenyl]piperidine-2-carboxamide;hydrochloride
CID 119282638
N-(3,4-dimethoxyphenyl)azepane-2-carboxamide
CID 64562794
(2S)-N-(3,4-dimethoxyphenyl)piperidine-2-carboxamide;hydrochloride
CID 119673647
(2R)-N-(2-chloro-5-methylsulfonylphenyl)piperidine-2-carboxamide
CID 104912877
(2R)-N-(2-hydroxy-5-methylsulfonylphenyl)pyrrolidine-2-carboxamide
CID 104901321
(2R)-N-(4-methoxy-3-methylphenyl)piperidine-2-carboxamide
CID 94222952

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-methoxy-5-sulfamoylphenyl)piperidine-2-carboxamide?
The IUPAC name of (2R)-N-(2-methoxy-5-sulfamoylphenyl)piperidine-2-carboxamide (CID 104913098) is (2R)-N-(2-methoxy-5-sulfamoylphenyl)piperidine-2-carboxamide.
What is the SMILES notation for (2R)-N-(2-methoxy-5-sulfamoylphenyl)piperidine-2-carboxamide?
The canonical SMILES for (2R)-N-(2-methoxy-5-sulfamoylphenyl)piperidine-2-carboxamide is COc1ccc(S(N)(=O)=O)cc1NC(=O)[C@H]1CCCCN1.
What is the InChIKey of (2R)-N-(2-methoxy-5-sulfamoylphenyl)piperidine-2-carboxamide?
The InChIKey is YOHZXVKZRGQHES-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H19N3O4S/c1-20-12-6-5-9(21(14,18)19)8-11(12)16-13(17)10-4-2-3-7-15-10/h5-6,8,10,15H,2-4,7H2,1H3,(H,16,17)(H2,14,18,19)/t10-/m1/s1.
What are the key properties of (2R)-N-(2-methoxy-5-sulfamoylphenyl)piperidine-2-carboxamide?
(2R)-N-(2-methoxy-5-sulfamoylphenyl)piperidine-2-carboxamide has a molecular weight of 313.38 g/mol, XLogP of 0.42, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-methoxy-5-sulfamoylphenyl)piperidine-2-carboxamide is sourced from PubChem (CID 104913098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).