4-[(3,4-dichlorophenyl)methylsulfonyl-methylamino]-N-methylpyridine-2-carboxamide

C15H15Cl2N3O3S — CID 71849433

IUPAC4-[(3,4-dichlorophenyl)methylsulfonyl-methylamino]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(N(C)S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)ccn1
InChIInChI=1S/C15H15Cl2N3O3S/c1-18-15(21)14-8-11(5-6-19-14)20(2)24(22,23)9-10-3-4-12(16)13(17)7-10/h3-8H,9H2,1-2H3,(H,18,21)
InChIKeyWLZCNYBAISKRKX-UHFFFAOYSA-N
MW388.28 g/mol
LogP2.71
Rot. Bonds5

About 4-[(3,4-dichlorophenyl)methylsulfonyl-methylamino]-N-methylpyridine-2-carboxamide

4-[(3,4-dichlorophenyl)methylsulfonyl-methylamino]-N-methylpyridine-2-carboxamide (PubChem CID 71849433) has the molecular formula C15H15Cl2N3O3S and a molecular weight of 388.28 g/mol. Its IUPAC name is 4-[(3,4-dichlorophenyl)methylsulfonyl-methylamino]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[(3,4-dichlorophenyl)methylsulfonyl-methylamino]-N-methylpyridine-2-carboxamide
PubChem CID71849433
Molecular FormulaC15H15Cl2N3O3S
Molecular Weight388.28 g/mol
Exact Mass387.02
IUPAC Name4-[(3,4-dichlorophenyl)methylsulfonyl-methylamino]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(N(C)S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)ccn1
InChIInChI=1S/C15H15Cl2N3O3S/c1-18-15(21)14-8-11(5-6-19-14)20(2)24(22,23)9-10-3-4-12(16)13(17)7-10/h3-8H,9H2,1-2H3,(H,18,21)
InChIKeyWLZCNYBAISKRKX-UHFFFAOYSA-N
XLogP2.71
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.28
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3,4-dichlorophenyl)methylsulfonyl]-N-methylpropanamide
CID 47206500
2-[[2-(methylcarbamoyl)-4-pyridinyl]-propan-2-ylamino]acetic acid
CID 60828541
1-(3,4-dichlorophenyl)-N-methyl-N-pentan-3-ylmethanesulfonamide
CID 56582136
4-[3-hydroxypropyl(propan-2-yl)amino]-N-methylpyridine-2-carboxamide
CID 61147334
N-methyl-4-[methyl(pyridine-4-carbonyl)amino]pyridine-2-carboxamide
CID 174187705
methyl 4-[methyl-[2-(methylcarbamoyl)-4-pyridinyl]amino]butanoate
CID 62005376
4-[3-aminopropyl(propan-2-yl)amino]-N-methylpyridine-2-carboxamide
CID 43517704
4-[(4-chlorophenyl)methylamino]-N-methylpyridine-2-carboxamide
CID 43395704
4-[2-hydroxyethyl(propyl)amino]-N-methylpyridine-2-carboxamide
CID 61425976
4-[2-aminoethyl(ethyl)amino]-N-methylpyridine-2-carboxamide
CID 63765132
4-[2-aminoethyl(pentan-3-yl)amino]-N-methylpyridine-2-carboxamide
CID 63761416
N-[(4-chlorophenyl)methyl]-1-(3,4-dichlorophenyl)-N-methylmethanesulfonamide
CID 56512990

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dichlorophenyl)methylsulfonyl-methylamino]-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[(3,4-dichlorophenyl)methylsulfonyl-methylamino]-N-methylpyridine-2-carboxamide (CID 71849433) is 4-[(3,4-dichlorophenyl)methylsulfonyl-methylamino]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[(3,4-dichlorophenyl)methylsulfonyl-methylamino]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[(3,4-dichlorophenyl)methylsulfonyl-methylamino]-N-methylpyridine-2-carboxamide is CNC(=O)c1cc(N(C)S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)ccn1.
What is the InChIKey of 4-[(3,4-dichlorophenyl)methylsulfonyl-methylamino]-N-methylpyridine-2-carboxamide?
The InChIKey is WLZCNYBAISKRKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N3O3S/c1-18-15(21)14-8-11(5-6-19-14)20(2)24(22,23)9-10-3-4-12(16)13(17)7-10/h3-8H,9H2,1-2H3,(H,18,21).
What are the key properties of 4-[(3,4-dichlorophenyl)methylsulfonyl-methylamino]-N-methylpyridine-2-carboxamide?
4-[(3,4-dichlorophenyl)methylsulfonyl-methylamino]-N-methylpyridine-2-carboxamide has a molecular weight of 388.28 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dichlorophenyl)methylsulfonyl-methylamino]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 71849433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).