N-[3-(2-chlorophenyl)prop-2-enylsulfonyl]-4,6-dimethoxypyridine-2-carboxamide

C17H17ClN2O5S — CID 174335307

IUPACN-[3-(2-chlorophenyl)prop-2-enylsulfonyl]-4,6-dimethoxypyridine-2-carboxamide
SMILESCOc1cc(OC)nc(C(=O)NS(=O)(=O)CC=Cc2ccccc2Cl)c1
InChIInChI=1S/C17H17ClN2O5S/c1-24-13-10-15(19-16(11-13)25-2)17(21)20-26(22,23)9-5-7-12-6-3-4-8-14(12)18/h3-8,10-11H,9H2,1-2H3,(H,20,21)
InChIKeyUFHKIIHABQQOQP-UHFFFAOYSA-N
MW396.85 g/mol
LogP2.53
Rot. Bonds7

About N-[3-(2-chlorophenyl)prop-2-enylsulfonyl]-4,6-dimethoxypyridine-2-carboxamide

N-[3-(2-chlorophenyl)prop-2-enylsulfonyl]-4,6-dimethoxypyridine-2-carboxamide (PubChem CID 174335307) has the molecular formula C17H17ClN2O5S and a molecular weight of 396.85 g/mol. Its IUPAC name is N-[3-(2-chlorophenyl)prop-2-enylsulfonyl]-4,6-dimethoxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(2-chlorophenyl)prop-2-enylsulfonyl]-4,6-dimethoxypyridine-2-carboxamide
PubChem CID174335307
Molecular FormulaC17H17ClN2O5S
Molecular Weight396.85 g/mol
Exact Mass396.05
IUPAC NameN-[3-(2-chlorophenyl)prop-2-enylsulfonyl]-4,6-dimethoxypyridine-2-carboxamide
SMILESCOc1cc(OC)nc(C(=O)NS(=O)(=O)CC=Cc2ccccc2Cl)c1
InChIInChI=1S/C17H17ClN2O5S/c1-24-13-10-15(19-16(11-13)25-2)17(21)20-26(22,23)9-5-7-12-6-3-4-8-14(12)18/h3-8,10-11H,9H2,1-2H3,(H,20,21)
InChIKeyUFHKIIHABQQOQP-UHFFFAOYSA-N
XLogP2.53
TPSA94.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.85
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2,6-dichlorophenyl) N-(4,6-dimethoxypyridine-2-carbonyl)sulfamate
CID 19778891
6-chloro-N-(2,6-dichlorophenyl)sulfonyl-4-methoxypyridine-2-carboxamide
CID 23002405
2-[(6-chloro-4-methoxypyridine-2-carbonyl)sulfamoyl]benzoic acid
CID 23002380
ethyl N-[2-(2-chlorophenyl)ethenylsulfonylamino]carbamate
CID 72685063
3-(2-chlorophenyl)-N-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]prop-2-enamide
CID 5185539
3-(2-chlorophenyl)-1-[3-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methylamino]-1,2,4-triazol-1-yl]prop-2-en-1-one
CID 5025726
2-[(4-methoxy-6-methylpyridine-2-carbonyl)sulfamoyl]benzoic acid
CID 23002403
methyl 3-(3-naphthalen-1-ylprop-2-enylsulfonylamino)propanoate
CID 175235038
N-[(Z)-(2-chlorophenyl)methylideneamino]-4-methoxybenzamide
CID 5404314
(E)-3-(2-chlorophenyl)-N-[(3-methoxyphenyl)carbamothioyl]prop-2-enamide
CID 926900
1-(4,6-dimethoxypyrimidin-2-yl)-3-[3-[methyl(methylsulfonyl)amino]prop-2-enylsulfonyl]urea
CID 174284655
3-(2-chlorophenyl)-N-[[5-(4-methoxyphenyl)-1H-imidazol-2-yl]methyl]prop-2-enamide
CID 91939363

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-chlorophenyl)prop-2-enylsulfonyl]-4,6-dimethoxypyridine-2-carboxamide?
The IUPAC name of N-[3-(2-chlorophenyl)prop-2-enylsulfonyl]-4,6-dimethoxypyridine-2-carboxamide (CID 174335307) is N-[3-(2-chlorophenyl)prop-2-enylsulfonyl]-4,6-dimethoxypyridine-2-carboxamide.
What is the SMILES notation for N-[3-(2-chlorophenyl)prop-2-enylsulfonyl]-4,6-dimethoxypyridine-2-carboxamide?
The canonical SMILES for N-[3-(2-chlorophenyl)prop-2-enylsulfonyl]-4,6-dimethoxypyridine-2-carboxamide is COc1cc(OC)nc(C(=O)NS(=O)(=O)CC=Cc2ccccc2Cl)c1.
What is the InChIKey of N-[3-(2-chlorophenyl)prop-2-enylsulfonyl]-4,6-dimethoxypyridine-2-carboxamide?
The InChIKey is UFHKIIHABQQOQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O5S/c1-24-13-10-15(19-16(11-13)25-2)17(21)20-26(22,23)9-5-7-12-6-3-4-8-14(12)18/h3-8,10-11H,9H2,1-2H3,(H,20,21).
What are the key properties of N-[3-(2-chlorophenyl)prop-2-enylsulfonyl]-4,6-dimethoxypyridine-2-carboxamide?
N-[3-(2-chlorophenyl)prop-2-enylsulfonyl]-4,6-dimethoxypyridine-2-carboxamide has a molecular weight of 396.85 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-chlorophenyl)prop-2-enylsulfonyl]-4,6-dimethoxypyridine-2-carboxamide is sourced from PubChem (CID 174335307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).