N-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-pyridin-3-ylprop-2-enamide

C18H20ClN3O3S — CID 76858101

IUPACN-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-pyridin-3-ylprop-2-enamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)C=Cc2cccnc2)ccc1Cl
InChIInChI=1S/C18H20ClN3O3S/c1-3-22(4-2)26(24,25)17-12-15(8-9-16(17)19)21-18(23)10-7-14-6-5-11-20-13-14/h5-13H,3-4H2,1-2H3,(H,21,23)
InChIKeySFBVABKMRPFEDC-UHFFFAOYSA-N
MW393.90 g/mol
LogP3.42
Rot. Bonds7

About N-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-pyridin-3-ylprop-2-enamide

N-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-pyridin-3-ylprop-2-enamide (PubChem CID 76858101) has the molecular formula C18H20ClN3O3S and a molecular weight of 393.90 g/mol. Its IUPAC name is N-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-pyridin-3-ylprop-2-enamide.

Molecular Properties

Compound NameN-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-pyridin-3-ylprop-2-enamide
PubChem CID76858101
Molecular FormulaC18H20ClN3O3S
Molecular Weight393.90 g/mol
Exact Mass393.09
IUPAC NameN-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-pyridin-3-ylprop-2-enamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)C=Cc2cccnc2)ccc1Cl
InChIInChI=1S/C18H20ClN3O3S/c1-3-22(4-2)26(24,25)17-12-15(8-9-16(17)19)21-18(23)10-7-14-6-5-11-20-13-14/h5-13H,3-4H2,1-2H3,(H,21,23)
InChIKeySFBVABKMRPFEDC-UHFFFAOYSA-N
XLogP3.42
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.90
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[3-[[4-chloro-3-(diethylsulfamoyl)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide
CID 55630897
(E)-N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-3-pyridin-3-ylprop-2-enamide
CID 78848236
(E)-N-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-enamide
CID 55340863
N-[4-[ethyl(propan-2-yl)amino]phenyl]-3-pyridin-3-ylprop-2-enamide
CID 74659842
(E)-N-(3-chlorophenyl)-3-pyridin-3-ylprop-2-enamide
CID 47148186
N-[4-chloro-3-(diethylsulfamoyl)phenyl]-4-(pyridin-3-ylmethylsulfanyl)benzamide
CID 55684932
N-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-(pyridin-3-ylmethoxy)benzamide
CID 55770704
N-(3-methylphenyl)-3-pyridin-3-ylprop-2-enamide
CID 71899114
(E)-3-(4-acetamidophenyl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]prop-2-enamide
CID 31253612
3-chloro-N,N-diethyl-5-[4-[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]phenyl]sulfinylbenzamide
CID 90011949
N-[4-[(4-methyl-3-pyridinyl)sulfonyl]phenyl]-3-pyridin-3-ylprop-2-enamide
CID 123684252
(E)-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-3-(4-fluorophenyl)prop-2-enamide
CID 6180383

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-pyridin-3-ylprop-2-enamide?
The IUPAC name of N-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-pyridin-3-ylprop-2-enamide (CID 76858101) is N-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-pyridin-3-ylprop-2-enamide.
What is the SMILES notation for N-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-pyridin-3-ylprop-2-enamide?
The canonical SMILES for N-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-pyridin-3-ylprop-2-enamide is CCN(CC)S(=O)(=O)c1cc(NC(=O)C=Cc2cccnc2)ccc1Cl.
What is the InChIKey of N-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-pyridin-3-ylprop-2-enamide?
The InChIKey is SFBVABKMRPFEDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O3S/c1-3-22(4-2)26(24,25)17-12-15(8-9-16(17)19)21-18(23)10-7-14-6-5-11-20-13-14/h5-13H,3-4H2,1-2H3,(H,21,23).
What are the key properties of N-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-pyridin-3-ylprop-2-enamide?
N-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-pyridin-3-ylprop-2-enamide has a molecular weight of 393.90 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-pyridin-3-ylprop-2-enamide is sourced from PubChem (CID 76858101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).