N-(2-chloro-5-sulfamoylphenyl)-4-methyl-3,6-dihydro-2H-pyridine-1-carboxamide

C13H16ClN3O3S — CID 72858954

IUPACN-(2-chloro-5-sulfamoylphenyl)-4-methyl-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCC1=CCN(C(=O)Nc2cc(S(N)(=O)=O)ccc2Cl)CC1
InChIInChI=1S/C13H16ClN3O3S/c1-9-4-6-17(7-5-9)13(18)16-12-8-10(21(15,19)20)2-3-11(12)14/h2-4,8H,5-7H2,1H3,(H,16,18)(H2,15,19,20)
InChIKeySXRRTBBVYQYYFS-UHFFFAOYSA-N
MW329.81 g/mol
LogP2.17
Rot. Bonds2

About N-(2-chloro-5-sulfamoylphenyl)-4-methyl-3,6-dihydro-2H-pyridine-1-carboxamide

N-(2-chloro-5-sulfamoylphenyl)-4-methyl-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 72858954) has the molecular formula C13H16ClN3O3S and a molecular weight of 329.81 g/mol. Its IUPAC name is N-(2-chloro-5-sulfamoylphenyl)-4-methyl-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-5-sulfamoylphenyl)-4-methyl-3,6-dihydro-2H-pyridine-1-carboxamide
PubChem CID72858954
Molecular FormulaC13H16ClN3O3S
Molecular Weight329.81 g/mol
Exact Mass329.06
IUPAC NameN-(2-chloro-5-sulfamoylphenyl)-4-methyl-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCC1=CCN(C(=O)Nc2cc(S(N)(=O)=O)ccc2Cl)CC1
InChIInChI=1S/C13H16ClN3O3S/c1-9-4-6-17(7-5-9)13(18)16-12-8-10(21(15,19)20)2-3-11(12)14/h2-4,8H,5-7H2,1H3,(H,16,18)(H2,15,19,20)
InChIKeySXRRTBBVYQYYFS-UHFFFAOYSA-N
XLogP2.17
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.81
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(2-chloro-5-sulfamoylphenyl)-3-propoxypiperidine-1-carboxamide
CID 72941296
3,5-dichloro-4-[(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]benzoic acid
CID 114411862
N-(2-chloro-5-sulfamoylphenyl)propanamide
CID 61130694
4-(4-methylphenyl)-N-(4-sulfamoylphenyl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 17416490
N-(2-methyl-4-sulfamoylphenyl)piperidine-1-carboxamide
CID 79155124
N-(2-chloro-5-sulfamoylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 61128987
(2S)-2-amino-N-(2-chloro-5-sulfamoylphenyl)-3-methylbutanamide
CID 61178070
N-(2-chloro-5-sulfamoylphenyl)cyclobutanecarboxamide
CID 61131077
2-amino-N-[2-(2-chloro-5-sulfamoylanilino)-2-oxoethyl]acetamide
CID 60849966
5-chloro-N-(2-chloro-5-sulfamoylphenyl)thiophene-2-carboxamide
CID 62276709
3-amino-N-(2-chloro-5-sulfamoylphenyl)butanamide
CID 54924131
2-(azetidin-3-ylidene)-N-(2-chloro-5-sulfamoylphenyl)propanamide
CID 116675723

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-sulfamoylphenyl)-4-methyl-3,6-dihydro-2H-pyridine-1-carboxamide?
The IUPAC name of N-(2-chloro-5-sulfamoylphenyl)-4-methyl-3,6-dihydro-2H-pyridine-1-carboxamide (CID 72858954) is N-(2-chloro-5-sulfamoylphenyl)-4-methyl-3,6-dihydro-2H-pyridine-1-carboxamide.
What is the SMILES notation for N-(2-chloro-5-sulfamoylphenyl)-4-methyl-3,6-dihydro-2H-pyridine-1-carboxamide?
The canonical SMILES for N-(2-chloro-5-sulfamoylphenyl)-4-methyl-3,6-dihydro-2H-pyridine-1-carboxamide is CC1=CCN(C(=O)Nc2cc(S(N)(=O)=O)ccc2Cl)CC1.
What is the InChIKey of N-(2-chloro-5-sulfamoylphenyl)-4-methyl-3,6-dihydro-2H-pyridine-1-carboxamide?
The InChIKey is SXRRTBBVYQYYFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O3S/c1-9-4-6-17(7-5-9)13(18)16-12-8-10(21(15,19)20)2-3-11(12)14/h2-4,8H,5-7H2,1H3,(H,16,18)(H2,15,19,20).
What are the key properties of N-(2-chloro-5-sulfamoylphenyl)-4-methyl-3,6-dihydro-2H-pyridine-1-carboxamide?
N-(2-chloro-5-sulfamoylphenyl)-4-methyl-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 329.81 g/mol, XLogP of 2.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-sulfamoylphenyl)-4-methyl-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 72858954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).