N-[2-(4-chlorophenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide

C20H17ClN2O3S — CID 21002140

IUPACN-[2-(4-chlorophenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide
SMILESO=C(NCC(c1cccnc1)S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C20H17ClN2O3S/c21-17-8-10-18(11-9-17)27(25,26)19(16-7-4-12-22-13-16)14-23-20(24)15-5-2-1-3-6-15/h1-13,19H,14H2,(H,23,24)
InChIKeyMKXDLWKYPIPGJC-UHFFFAOYSA-N
MW400.89 g/mol
LogP3.68
Rot. Bonds6

About N-[2-(4-chlorophenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide

N-[2-(4-chlorophenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide (PubChem CID 21002140) has the molecular formula C20H17ClN2O3S and a molecular weight of 400.89 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide
PubChem CID21002140
Molecular FormulaC20H17ClN2O3S
Molecular Weight400.89 g/mol
Exact Mass400.06
IUPAC NameN-[2-(4-chlorophenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide
SMILESO=C(NCC(c1cccnc1)S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C20H17ClN2O3S/c21-17-8-10-18(11-9-17)27(25,26)19(16-7-4-12-22-13-16)14-23-20(24)15-5-2-1-3-6-15/h1-13,19H,14H2,(H,23,24)
InChIKeyMKXDLWKYPIPGJC-UHFFFAOYSA-N
XLogP3.68
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.89
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]benzamide
CID 9153361
N-[(2S)-2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide
CID 9155547
N-[(2S)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]pyridine-4-carboxamide
CID 9153775
4-chloro-N-[2-(4-ethoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide
CID 21007712
N-[(2S)-2-(4-propan-2-ylphenyl)sulfonyl-2-pyridin-3-ylethyl]pyridine-3-carboxamide
CID 9157955
N-[(2R)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-3-methylbenzamide
CID 9153392
N'-[(2R)-2-(4-chlorophenyl)sulfonyl-2-pyridin-3-ylethyl]-N-prop-2-enyloxamide
CID 9156533
4-chloro-N-[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]benzamide
CID 9152261
N-[(2R)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-3-(dimethylamino)benzamide
CID 42272406
2-fluoro-N-[(2R)-2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide
CID 9155660
N-[(2R)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-2-methylpropanamide
CID 9153191
N-[(2R)-2-(4-chlorophenyl)sulfonyl-2-pyridin-3-ylethyl]methanesulfonamide
CID 9156145

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide?
The IUPAC name of N-[2-(4-chlorophenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide (CID 21002140) is N-[2-(4-chlorophenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide?
The canonical SMILES for N-[2-(4-chlorophenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide is O=C(NCC(c1cccnc1)S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of N-[2-(4-chlorophenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide?
The InChIKey is MKXDLWKYPIPGJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O3S/c21-17-8-10-18(11-9-17)27(25,26)19(16-7-4-12-22-13-16)14-23-20(24)15-5-2-1-3-6-15/h1-13,19H,14H2,(H,23,24).
What are the key properties of N-[2-(4-chlorophenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide?
N-[2-(4-chlorophenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide has a molecular weight of 400.89 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide is sourced from PubChem (CID 21002140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).