1-(4-chlorophenyl)-N-[2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]methanesulfonamide

C21H21ClN2O5S2 — CID 21002179

IUPAC1-(4-chlorophenyl)-N-[2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]methanesulfonamide
SMILESCOc1ccc(S(=O)(=O)C(CNS(=O)(=O)Cc2ccc(Cl)cc2)c2cccnc2)cc1
InChIInChI=1S/C21H21ClN2O5S2/c1-29-19-8-10-20(11-9-19)31(27,28)21(17-3-2-12-23-13-17)14-24-30(25,26)15-16-4-6-18(22)7-5-16/h2-13,21,24H,14-15H2,1H3
InChIKeyIYUZICJFVXNXRT-UHFFFAOYSA-N
MW481.00 g/mol
LogP3.38
Rot. Bonds9

About 1-(4-chlorophenyl)-N-[2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]methanesulfonamide

1-(4-chlorophenyl)-N-[2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]methanesulfonamide (PubChem CID 21002179) has the molecular formula C21H21ClN2O5S2 and a molecular weight of 481.00 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]methanesulfonamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]methanesulfonamide
PubChem CID21002179
Molecular FormulaC21H21ClN2O5S2
Molecular Weight481.00 g/mol
Exact Mass480.06
IUPAC Name1-(4-chlorophenyl)-N-[2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]methanesulfonamide
SMILESCOc1ccc(S(=O)(=O)C(CNS(=O)(=O)Cc2ccc(Cl)cc2)c2cccnc2)cc1
InChIInChI=1S/C21H21ClN2O5S2/c1-29-19-8-10-20(11-9-19)31(27,28)21(17-3-2-12-23-13-17)14-24-30(25,26)15-16-4-6-18(22)7-5-16/h2-13,21,24H,14-15H2,1H3
InChIKeyIYUZICJFVXNXRT-UHFFFAOYSA-N
XLogP3.38
TPSA102.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.00
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-1-(4-methylphenyl)methanesulfonamide
CID 21002175
1-(4-chlorophenyl)-N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]methanesulfonamide
CID 20996539
N-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]butane-1-sulfonamide
CID 9156583
N-[(2R)-2-(4-chlorophenyl)sulfonyl-2-pyridin-3-ylethyl]methanesulfonamide
CID 9156145
1-(4-fluorophenyl)-N-[(2R)-2-(4-propan-2-ylphenyl)sulfonyl-2-pyridin-3-ylethyl]methanesulfonamide
CID 40904368
N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-pyridin-3-ylethyl]butane-1-sulfonamide
CID 9156197
N-[2-(4-chlorophenyl)sulfonyl-2-pyridin-3-ylethyl]-2-phenylethanesulfonamide
CID 21002129
N-[(2R)-2-(4-chlorophenyl)sulfonyl-2-pyridin-3-ylethyl]-3-phenylpropane-1-sulfonamide
CID 42272396
N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]-4-methoxybenzenesulfonamide
CID 20996522
2,5-dimethoxy-N-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]benzenesulfonamide
CID 40904177
N-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-2-methylpropanamide
CID 9156623
2-(4-methoxyphenyl)-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]acetamide
CID 40794316

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]methanesulfonamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]methanesulfonamide (CID 21002179) is 1-(4-chlorophenyl)-N-[2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]methanesulfonamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]methanesulfonamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]methanesulfonamide is COc1ccc(S(=O)(=O)C(CNS(=O)(=O)Cc2ccc(Cl)cc2)c2cccnc2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]methanesulfonamide?
The InChIKey is IYUZICJFVXNXRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O5S2/c1-29-19-8-10-20(11-9-19)31(27,28)21(17-3-2-12-23-13-17)14-24-30(25,26)15-16-4-6-18(22)7-5-16/h2-13,21,24H,14-15H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-N-[2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]methanesulfonamide?
1-(4-chlorophenyl)-N-[2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]methanesulfonamide has a molecular weight of 481.00 g/mol, XLogP of 3.38, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]methanesulfonamide is sourced from PubChem (CID 21002179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).