N-[(E)-2-chloro-1-(4-methylphenyl)sulfonylethenyl]benzamide

C16H14ClNO3S — CID 2134372

IUPACN-[(E)-2-chloro-1-(4-methylphenyl)sulfonylethenyl]benzamide
SMILESCc1ccc(S(=O)(=O)/C(=C/Cl)NC(=O)c2ccccc2)cc1
InChIInChI=1S/C16H14ClNO3S/c1-12-7-9-14(10-8-12)22(20,21)15(11-17)18-16(19)13-5-3-2-4-6-13/h2-11H,1H3,(H,18,19)/b15-11+
InChIKeyHEHYAHMUZJUXCA-RVDMUPIBSA-N
MW335.81 g/mol
LogP3.24
Rot. Bonds4

About N-[(E)-2-chloro-1-(4-methylphenyl)sulfonylethenyl]benzamide

N-[(E)-2-chloro-1-(4-methylphenyl)sulfonylethenyl]benzamide (PubChem CID 2134372) has the molecular formula C16H14ClNO3S and a molecular weight of 335.81 g/mol. Its IUPAC name is N-[(E)-2-chloro-1-(4-methylphenyl)sulfonylethenyl]benzamide.

Molecular Properties

Compound NameN-[(E)-2-chloro-1-(4-methylphenyl)sulfonylethenyl]benzamide
PubChem CID2134372
Molecular FormulaC16H14ClNO3S
Molecular Weight335.81 g/mol
Exact Mass335.04
IUPAC NameN-[(E)-2-chloro-1-(4-methylphenyl)sulfonylethenyl]benzamide
SMILESCc1ccc(S(=O)(=O)/C(=C/Cl)NC(=O)c2ccccc2)cc1
InChIInChI=1S/C16H14ClNO3S/c1-12-7-9-14(10-8-12)22(20,21)15(11-17)18-16(19)13-5-3-2-4-6-13/h2-11H,1H3,(H,18,19)/b15-11+
InChIKeyHEHYAHMUZJUXCA-RVDMUPIBSA-N
XLogP3.24
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.81
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(E)-1-(benzenesulfonyl)-2-phenylethenyl]-4-methylbenzamide
CID 6304047
lithium;hydride;N-(4-methylphenyl)sulfonylbenzamide
CID 173095463
[1-benzamido-2-(4-methylphenyl)sulfonylethenyl]-triphenylphosphanium
CID 3282028
N-[(E)-2-(benzenesulfonyl)-2-chloro-1-cyanoethenyl]-4-methylbenzamide
CID 134920938
N-methylbenzamide;sulfuryl dichloride
CID 158851255
N-[(Z)-2-benzamido-1,2-diphenylethenyl]benzamide
CID 2749417
N-[(E)-2-chloro-1-[chloro(triphenyl)-lambda5-phosphanyl]ethenyl]-4-methylbenzamide
CID 13225603
N-[(E)-[(1Z)-1-(benzenesulfonyl)-1-[(4-methylphenyl)hydrazinylidene]propan-2-ylidene]amino]benzamide
CID 46187228
1-benzamido-3-(4-methylphenyl)sulfonylurea
CID 4142958
(4-methylbenzoyl)carbamic acid
CID 89120559
(Z)-2-benzamido-3-chloroprop-2-enoic acid
CID 10977157
N-penta-1,3-dien-3-ylbenzamide
CID 76693459

Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-chloro-1-(4-methylphenyl)sulfonylethenyl]benzamide?
The IUPAC name of N-[(E)-2-chloro-1-(4-methylphenyl)sulfonylethenyl]benzamide (CID 2134372) is N-[(E)-2-chloro-1-(4-methylphenyl)sulfonylethenyl]benzamide.
What is the SMILES notation for N-[(E)-2-chloro-1-(4-methylphenyl)sulfonylethenyl]benzamide?
The canonical SMILES for N-[(E)-2-chloro-1-(4-methylphenyl)sulfonylethenyl]benzamide is Cc1ccc(S(=O)(=O)/C(=C/Cl)NC(=O)c2ccccc2)cc1.
What is the InChIKey of N-[(E)-2-chloro-1-(4-methylphenyl)sulfonylethenyl]benzamide?
The InChIKey is HEHYAHMUZJUXCA-RVDMUPIBSA-N. The full InChI is InChI=1S/C16H14ClNO3S/c1-12-7-9-14(10-8-12)22(20,21)15(11-17)18-16(19)13-5-3-2-4-6-13/h2-11H,1H3,(H,18,19)/b15-11+.
What are the key properties of N-[(E)-2-chloro-1-(4-methylphenyl)sulfonylethenyl]benzamide?
N-[(E)-2-chloro-1-(4-methylphenyl)sulfonylethenyl]benzamide has a molecular weight of 335.81 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-chloro-1-(4-methylphenyl)sulfonylethenyl]benzamide is sourced from PubChem (CID 2134372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).