N-[(2R)-2-(4-chlorophenyl)sulfonyl-2-pyridin-3-ylethyl]-3-phenylpropane-1-sulfonamide

C22H23ClN2O4S2 — CID 42272396

IUPACN-[(2R)-2-(4-chlorophenyl)sulfonyl-2-pyridin-3-ylethyl]-3-phenylpropane-1-sulfonamide
SMILESO=S(=O)(CCCc1ccccc1)NC[C@@H](c1cccnc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C22H23ClN2O4S2/c23-20-10-12-21(13-11-20)31(28,29)22(19-9-4-14-24-16-19)17-25-30(26,27)15-5-8-18-6-2-1-3-7-18/h1-4,6-7,9-14,16,22,25H,5,8,15,17H2/t22-/m0/s1
InChIKeyMJQWPBDFYHBAFR-QFIPXVFZSA-N
MW479.02 g/mol
LogP3.80
Rot. Bonds10

About N-[(2R)-2-(4-chlorophenyl)sulfonyl-2-pyridin-3-ylethyl]-3-phenylpropane-1-sulfonamide

N-[(2R)-2-(4-chlorophenyl)sulfonyl-2-pyridin-3-ylethyl]-3-phenylpropane-1-sulfonamide (PubChem CID 42272396) has the molecular formula C22H23ClN2O4S2 and a molecular weight of 479.02 g/mol. Its IUPAC name is N-[(2R)-2-(4-chlorophenyl)sulfonyl-2-pyridin-3-ylethyl]-3-phenylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-[(2R)-2-(4-chlorophenyl)sulfonyl-2-pyridin-3-ylethyl]-3-phenylpropane-1-sulfonamide
PubChem CID42272396
Molecular FormulaC22H23ClN2O4S2
Molecular Weight479.02 g/mol
Exact Mass478.08
IUPAC NameN-[(2R)-2-(4-chlorophenyl)sulfonyl-2-pyridin-3-ylethyl]-3-phenylpropane-1-sulfonamide
SMILESO=S(=O)(CCCc1ccccc1)NC[C@@H](c1cccnc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C22H23ClN2O4S2/c23-20-10-12-21(13-11-20)31(28,29)22(19-9-4-14-24-16-19)17-25-30(26,27)15-5-8-18-6-2-1-3-7-18/h1-4,6-7,9-14,16,22,25H,5,8,15,17H2/t22-/m0/s1
InChIKeyMJQWPBDFYHBAFR-QFIPXVFZSA-N
XLogP3.80
TPSA93.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.02
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-chlorophenyl)sulfonyl-2-pyridin-3-ylethyl]-2-phenylethanesulfonamide
CID 21002129
N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-pyridin-3-ylethyl]butane-1-sulfonamide
CID 9156197
N-[2-(4-ethoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-3-phenylpropane-1-sulfonamide
CID 21007747
N-[(2R)-2-(4-chlorophenyl)sulfonyl-2-pyridin-3-ylethyl]methanesulfonamide
CID 9156145
1-(4-chlorophenyl)-N-[2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]methanesulfonamide
CID 21002179
N-[(2R)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]butane-1-sulfonamide
CID 9154520
N-[(2S)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]ethanesulfonamide
CID 9153010
N-[2-(4-chlorophenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide
CID 21002140
N-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]butane-1-sulfonamide
CID 9156583
N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]butane-1-sulfonamide
CID 21007653
1-(4-chlorophenyl)-N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]methanesulfonamide
CID 20996539
N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-3-phenylpropane-1-sulfonamide
CID 112506427

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(4-chlorophenyl)sulfonyl-2-pyridin-3-ylethyl]-3-phenylpropane-1-sulfonamide?
The IUPAC name of N-[(2R)-2-(4-chlorophenyl)sulfonyl-2-pyridin-3-ylethyl]-3-phenylpropane-1-sulfonamide (CID 42272396) is N-[(2R)-2-(4-chlorophenyl)sulfonyl-2-pyridin-3-ylethyl]-3-phenylpropane-1-sulfonamide.
What is the SMILES notation for N-[(2R)-2-(4-chlorophenyl)sulfonyl-2-pyridin-3-ylethyl]-3-phenylpropane-1-sulfonamide?
The canonical SMILES for N-[(2R)-2-(4-chlorophenyl)sulfonyl-2-pyridin-3-ylethyl]-3-phenylpropane-1-sulfonamide is O=S(=O)(CCCc1ccccc1)NC[C@@H](c1cccnc1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-[(2R)-2-(4-chlorophenyl)sulfonyl-2-pyridin-3-ylethyl]-3-phenylpropane-1-sulfonamide?
The InChIKey is MJQWPBDFYHBAFR-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H23ClN2O4S2/c23-20-10-12-21(13-11-20)31(28,29)22(19-9-4-14-24-16-19)17-25-30(26,27)15-5-8-18-6-2-1-3-7-18/h1-4,6-7,9-14,16,22,25H,5,8,15,17H2/t22-/m0/s1.
What are the key properties of N-[(2R)-2-(4-chlorophenyl)sulfonyl-2-pyridin-3-ylethyl]-3-phenylpropane-1-sulfonamide?
N-[(2R)-2-(4-chlorophenyl)sulfonyl-2-pyridin-3-ylethyl]-3-phenylpropane-1-sulfonamide has a molecular weight of 479.02 g/mol, XLogP of 3.80, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(4-chlorophenyl)sulfonyl-2-pyridin-3-ylethyl]-3-phenylpropane-1-sulfonamide is sourced from PubChem (CID 42272396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).