1-[(5,6-dichloro-3-pyridinyl)sulfonyl]-N,N-dimethylpyrrolidine-2-carboxamide

C12H15Cl2N3O3S — CID 64606663

IUPAC1-[(5,6-dichloro-3-pyridinyl)sulfonyl]-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCN(C)C(=O)C1CCCN1S(=O)(=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C12H15Cl2N3O3S/c1-16(2)12(18)10-4-3-5-17(10)21(19,20)8-6-9(13)11(14)15-7-8/h6-7,10H,3-5H2,1-2H3
InChIKeyALVBSVSMSWEMOS-UHFFFAOYSA-N
MW352.24 g/mol
LogP1.63
Rot. Bonds3

About 1-[(5,6-dichloro-3-pyridinyl)sulfonyl]-N,N-dimethylpyrrolidine-2-carboxamide

1-[(5,6-dichloro-3-pyridinyl)sulfonyl]-N,N-dimethylpyrrolidine-2-carboxamide (PubChem CID 64606663) has the molecular formula C12H15Cl2N3O3S and a molecular weight of 352.24 g/mol. Its IUPAC name is 1-[(5,6-dichloro-3-pyridinyl)sulfonyl]-N,N-dimethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[(5,6-dichloro-3-pyridinyl)sulfonyl]-N,N-dimethylpyrrolidine-2-carboxamide
PubChem CID64606663
Molecular FormulaC12H15Cl2N3O3S
Molecular Weight352.24 g/mol
Exact Mass351.02
IUPAC Name1-[(5,6-dichloro-3-pyridinyl)sulfonyl]-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCN(C)C(=O)C1CCCN1S(=O)(=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C12H15Cl2N3O3S/c1-16(2)12(18)10-4-3-5-17(10)21(19,20)8-6-9(13)11(14)15-7-8/h6-7,10H,3-5H2,1-2H3
InChIKeyALVBSVSMSWEMOS-UHFFFAOYSA-N
XLogP1.63
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.24
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-[(5,6-dichloro-3-pyridinyl)sulfonyl]-N,N-dimethylpiperidin-4-amine
CID 64606820
1-(4-bromo-2-chlorophenyl)sulfonyl-N,N-dimethylpyrrolidine-2-carboxamide
CID 60700592
1-[(5,6-dichloro-3-pyridinyl)sulfonyl]azepane
CID 4730925
4-[(5,6-dichloro-3-pyridinyl)sulfonyl]-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
CID 64607076
3-chloro-N-methyl-5-(2-methylpyrrolidin-1-yl)sulfonylpyridin-2-amine
CID 64608492
(2S)-N,N-dimethyl-1-(4-methyl-3-nitrophenyl)sulfonylpyrrolidine-2-carboxamide
CID 40882604
2,3-dichloro-5-(3-methylpyrrolidin-1-yl)sulfonylpyridine
CID 64608977
tert-butyl (2S)-1-(1,4-dichloroisoquinolin-7-yl)sulfonylpyrrolidine-2-carboxylate
CID 16658180
(2S)-1-(4-chlorophenyl)sulfonyl-N-methyl-N-phenylpyrrolidine-2-carboxamide
CID 2320261
1-(2-amino-4-bromophenyl)sulfonyl-N,N-dimethylpyrrolidine-2-carboxamide
CID 43577772
1-(5,6-dichloropyridine-3-carbonyl)-N,N-dimethylpiperidine-4-carboxamide
CID 60637345
1-(5-amino-3-chloro-2-pyridinyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 114046115

Frequently Asked Questions

What is the IUPAC name of 1-[(5,6-dichloro-3-pyridinyl)sulfonyl]-N,N-dimethylpyrrolidine-2-carboxamide?
The IUPAC name of 1-[(5,6-dichloro-3-pyridinyl)sulfonyl]-N,N-dimethylpyrrolidine-2-carboxamide (CID 64606663) is 1-[(5,6-dichloro-3-pyridinyl)sulfonyl]-N,N-dimethylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[(5,6-dichloro-3-pyridinyl)sulfonyl]-N,N-dimethylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-[(5,6-dichloro-3-pyridinyl)sulfonyl]-N,N-dimethylpyrrolidine-2-carboxamide is CN(C)C(=O)C1CCCN1S(=O)(=O)c1cnc(Cl)c(Cl)c1.
What is the InChIKey of 1-[(5,6-dichloro-3-pyridinyl)sulfonyl]-N,N-dimethylpyrrolidine-2-carboxamide?
The InChIKey is ALVBSVSMSWEMOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2N3O3S/c1-16(2)12(18)10-4-3-5-17(10)21(19,20)8-6-9(13)11(14)15-7-8/h6-7,10H,3-5H2,1-2H3.
What are the key properties of 1-[(5,6-dichloro-3-pyridinyl)sulfonyl]-N,N-dimethylpyrrolidine-2-carboxamide?
1-[(5,6-dichloro-3-pyridinyl)sulfonyl]-N,N-dimethylpyrrolidine-2-carboxamide has a molecular weight of 352.24 g/mol, XLogP of 1.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5,6-dichloro-3-pyridinyl)sulfonyl]-N,N-dimethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 64606663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).