N'-[6-[(3-chlorophenyl)methylsulfonyl-methylamino]-2-methyl-3-pyridinyl]-N-ethyl-N-methylmethanimidamide

C18H23ClN4O2S — CID 118034755

IUPACN'-[6-[(3-chlorophenyl)methylsulfonyl-methylamino]-2-methyl-3-pyridinyl]-N-ethyl-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1ccc(N(C)S(=O)(=O)Cc2cccc(Cl)c2)nc1C
InChIInChI=1S/C18H23ClN4O2S/c1-5-22(3)13-20-17-9-10-18(21-14(17)2)23(4)26(24,25)12-15-7-6-8-16(19)11-15/h6-11,13H,5,12H2,1-4H3/b20-13+
InChIKeyJZFCFHFZVPIRNK-DEDYPNTBSA-N
MW394.93 g/mol
LogP3.62
Rot. Bonds7

About N'-[6-[(3-chlorophenyl)methylsulfonyl-methylamino]-2-methyl-3-pyridinyl]-N-ethyl-N-methylmethanimidamide

N'-[6-[(3-chlorophenyl)methylsulfonyl-methylamino]-2-methyl-3-pyridinyl]-N-ethyl-N-methylmethanimidamide (PubChem CID 118034755) has the molecular formula C18H23ClN4O2S and a molecular weight of 394.93 g/mol. Its IUPAC name is N'-[6-[(3-chlorophenyl)methylsulfonyl-methylamino]-2-methyl-3-pyridinyl]-N-ethyl-N-methylmethanimidamide.

Molecular Properties

Compound NameN'-[6-[(3-chlorophenyl)methylsulfonyl-methylamino]-2-methyl-3-pyridinyl]-N-ethyl-N-methylmethanimidamide
PubChem CID118034755
Molecular FormulaC18H23ClN4O2S
Molecular Weight394.93 g/mol
Exact Mass394.12
IUPAC NameN'-[6-[(3-chlorophenyl)methylsulfonyl-methylamino]-2-methyl-3-pyridinyl]-N-ethyl-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1ccc(N(C)S(=O)(=O)Cc2cccc(Cl)c2)nc1C
InChIInChI=1S/C18H23ClN4O2S/c1-5-22(3)13-20-17-9-10-18(21-14(17)2)23(4)26(24,25)12-15-7-6-8-16(19)11-15/h6-11,13H,5,12H2,1-4H3/b20-13+
InChIKeyJZFCFHFZVPIRNK-DEDYPNTBSA-N
XLogP3.62
TPSA65.87 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.93
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-[4-[(3-chlorophenyl)methylamino]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide
CID 151932183
N'-[2-(aminomethyl)-4-[(3-chlorophenyl)methyl]-5-cyanophenyl]-N-ethyl-N-methylmethanimidamide
CID 174951870
1-(3-chlorophenyl)-N-ethyl-N-(2-pyrrolidin-1-ylethyl)methanesulfonamide
CID 131915599
N'-[4-[2-(3-chloro-N-methylanilino)acetyl]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide
CID 142458820
(3-methylphenyl)methyl 5-chloro-3-[[ethyl(methyl)amino]methylideneamino]-2-methylbenzoate
CID 178171831
(3-chlorophenyl)methanesulfonyl chloride
CID 2757802
1-(3-chlorophenyl)-N-methyl-N-(oxan-4-ylmethyl)methanesulfonamide
CID 91905216
N-chloro-1-(3-chlorophenyl)methanesulfonamide
CID 133063629
N-(3-chlorophenyl)-N-methylethanesulfonamide
CID 118612457
N'-[2,5-dimethyl-6-[methyl-[(2-methylphenyl)methyl]amino]-3-pyridinyl]-N-ethyl-N-methylmethanimidamide
CID 118034859
N-[(3-chlorophenyl)methyl]-N',N'-diethyl-N-methylethane-1,2-diamine
CID 784062
1-(3-chlorophenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanesulfonamide
CID 46970053

Frequently Asked Questions

What is the IUPAC name of N'-[6-[(3-chlorophenyl)methylsulfonyl-methylamino]-2-methyl-3-pyridinyl]-N-ethyl-N-methylmethanimidamide?
The IUPAC name of N'-[6-[(3-chlorophenyl)methylsulfonyl-methylamino]-2-methyl-3-pyridinyl]-N-ethyl-N-methylmethanimidamide (CID 118034755) is N'-[6-[(3-chlorophenyl)methylsulfonyl-methylamino]-2-methyl-3-pyridinyl]-N-ethyl-N-methylmethanimidamide.
What is the SMILES notation for N'-[6-[(3-chlorophenyl)methylsulfonyl-methylamino]-2-methyl-3-pyridinyl]-N-ethyl-N-methylmethanimidamide?
The canonical SMILES for N'-[6-[(3-chlorophenyl)methylsulfonyl-methylamino]-2-methyl-3-pyridinyl]-N-ethyl-N-methylmethanimidamide is CCN(C)/C=N/c1ccc(N(C)S(=O)(=O)Cc2cccc(Cl)c2)nc1C.
What is the InChIKey of N'-[6-[(3-chlorophenyl)methylsulfonyl-methylamino]-2-methyl-3-pyridinyl]-N-ethyl-N-methylmethanimidamide?
The InChIKey is JZFCFHFZVPIRNK-DEDYPNTBSA-N. The full InChI is InChI=1S/C18H23ClN4O2S/c1-5-22(3)13-20-17-9-10-18(21-14(17)2)23(4)26(24,25)12-15-7-6-8-16(19)11-15/h6-11,13H,5,12H2,1-4H3/b20-13+.
What are the key properties of N'-[6-[(3-chlorophenyl)methylsulfonyl-methylamino]-2-methyl-3-pyridinyl]-N-ethyl-N-methylmethanimidamide?
N'-[6-[(3-chlorophenyl)methylsulfonyl-methylamino]-2-methyl-3-pyridinyl]-N-ethyl-N-methylmethanimidamide has a molecular weight of 394.93 g/mol, XLogP of 3.62, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[6-[(3-chlorophenyl)methylsulfonyl-methylamino]-2-methyl-3-pyridinyl]-N-ethyl-N-methylmethanimidamide is sourced from PubChem (CID 118034755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).