N-[(5-chloro-2-pyridinyl)sulfonyl]-3-(3-cyanophenyl)prop-2-enamide

C15H10ClN3O3S — CID 126814917

IUPACN-[(5-chloro-2-pyridinyl)sulfonyl]-3-(3-cyanophenyl)prop-2-enamide
SMILESN#Cc1cccc(C=CC(=O)NS(=O)(=O)c2ccc(Cl)cn2)c1
InChIInChI=1S/C15H10ClN3O3S/c16-13-5-7-15(18-10-13)23(21,22)19-14(20)6-4-11-2-1-3-12(8-11)9-17/h1-8,10H,(H,19,20)
InChIKeyWSKMKVGUOCBFLN-UHFFFAOYSA-N
MW347.78 g/mol
LogP2.12
Rot. Bonds4

About N-[(5-chloro-2-pyridinyl)sulfonyl]-3-(3-cyanophenyl)prop-2-enamide

N-[(5-chloro-2-pyridinyl)sulfonyl]-3-(3-cyanophenyl)prop-2-enamide (PubChem CID 126814917) has the molecular formula C15H10ClN3O3S and a molecular weight of 347.78 g/mol. Its IUPAC name is N-[(5-chloro-2-pyridinyl)sulfonyl]-3-(3-cyanophenyl)prop-2-enamide.

Molecular Properties

Compound NameN-[(5-chloro-2-pyridinyl)sulfonyl]-3-(3-cyanophenyl)prop-2-enamide
PubChem CID126814917
Molecular FormulaC15H10ClN3O3S
Molecular Weight347.78 g/mol
Exact Mass347.01
IUPAC NameN-[(5-chloro-2-pyridinyl)sulfonyl]-3-(3-cyanophenyl)prop-2-enamide
SMILESN#Cc1cccc(C=CC(=O)NS(=O)(=O)c2ccc(Cl)cn2)c1
InChIInChI=1S/C15H10ClN3O3S/c16-13-5-7-15(18-10-13)23(21,22)19-14(20)6-4-11-2-1-3-12(8-11)9-17/h1-8,10H,(H,19,20)
InChIKeyWSKMKVGUOCBFLN-UHFFFAOYSA-N
XLogP2.12
TPSA99.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.78
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(6-chloro-3-pyridinyl)methylsulfonyl]-3-(3-cyanophenyl)prop-2-enamide
CID 71882572
(E)-3-(3-cyanophenyl)-N-(1-methoxypropan-2-ylsulfonyl)prop-2-enamide
CID 91642737
3-(3-oxobut-1-enyl)benzonitrile
CID 54320698
(E)-3-(3-cyanophenyl)-N-[(2R)-1-ethylsulfonylpropan-2-yl]prop-2-enamide
CID 96539648
(Z)-3-(3-cyanophenyl)prop-2-enoate
CID 86306265
3-[(E)-3-(4-chlorophenyl)prop-2-enoyl]benzonitrile
CID 52643863
(E)-3-(3-cyanophenyl)-N-(3-hydroxypropyl)prop-2-enamide
CID 43428090
(E)-3-(3-cyanophenyl)-N-(3-hydroxy-2-methylbutan-2-yl)prop-2-enamide
CID 115884334
(E)-3-(3-cyanophenyl)-N-(1H-1,2,4-triazol-5-ylmethyl)prop-2-enamide
CID 54885145
(E)-3-(3-cyanophenyl)-N-[1-(hydroxymethyl)cyclopropyl]prop-2-enamide
CID 115764671
(E)-N-(4-acetylphenyl)sulfonyl-3-(3-chlorophenyl)prop-2-enamide
CID 55362067
2-[[2-[[(E)-3-(3-cyanophenyl)prop-2-enoyl]amino]acetyl]amino]acetic acid
CID 43465441

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-pyridinyl)sulfonyl]-3-(3-cyanophenyl)prop-2-enamide?
The IUPAC name of N-[(5-chloro-2-pyridinyl)sulfonyl]-3-(3-cyanophenyl)prop-2-enamide (CID 126814917) is N-[(5-chloro-2-pyridinyl)sulfonyl]-3-(3-cyanophenyl)prop-2-enamide.
What is the SMILES notation for N-[(5-chloro-2-pyridinyl)sulfonyl]-3-(3-cyanophenyl)prop-2-enamide?
The canonical SMILES for N-[(5-chloro-2-pyridinyl)sulfonyl]-3-(3-cyanophenyl)prop-2-enamide is N#Cc1cccc(C=CC(=O)NS(=O)(=O)c2ccc(Cl)cn2)c1.
What is the InChIKey of N-[(5-chloro-2-pyridinyl)sulfonyl]-3-(3-cyanophenyl)prop-2-enamide?
The InChIKey is WSKMKVGUOCBFLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN3O3S/c16-13-5-7-15(18-10-13)23(21,22)19-14(20)6-4-11-2-1-3-12(8-11)9-17/h1-8,10H,(H,19,20).
What are the key properties of N-[(5-chloro-2-pyridinyl)sulfonyl]-3-(3-cyanophenyl)prop-2-enamide?
N-[(5-chloro-2-pyridinyl)sulfonyl]-3-(3-cyanophenyl)prop-2-enamide has a molecular weight of 347.78 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-pyridinyl)sulfonyl]-3-(3-cyanophenyl)prop-2-enamide is sourced from PubChem (CID 126814917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).