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

C24H28N2O5S2 — CID 21007747

IUPACN-[2-(4-ethoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-3-phenylpropane-1-sulfonamide
SMILESCCOc1ccc(S(=O)(=O)C(CNS(=O)(=O)CCCc2ccccc2)c2cccnc2)cc1
InChIInChI=1S/C24H28N2O5S2/c1-2-31-22-12-14-23(15-13-22)33(29,30)24(21-11-6-16-25-18-21)19-26-32(27,28)17-7-10-20-8-4-3-5-9-20/h3-6,8-9,11-16,18,24,26H,2,7,10,17,19H2,1H3
InChIKeyQHOZCOMSBLGCHE-UHFFFAOYSA-N
MW488.63 g/mol
LogP3.55
Rot. Bonds12

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

N-[2-(4-ethoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-3-phenylpropane-1-sulfonamide (PubChem CID 21007747) has the molecular formula C24H28N2O5S2 and a molecular weight of 488.63 g/mol. Its IUPAC name is N-[2-(4-ethoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-3-phenylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(4-ethoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-3-phenylpropane-1-sulfonamide
PubChem CID21007747
Molecular FormulaC24H28N2O5S2
Molecular Weight488.63 g/mol
Exact Mass488.14
IUPAC NameN-[2-(4-ethoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-3-phenylpropane-1-sulfonamide
SMILESCCOc1ccc(S(=O)(=O)C(CNS(=O)(=O)CCCc2ccccc2)c2cccnc2)cc1
InChIInChI=1S/C24H28N2O5S2/c1-2-31-22-12-14-23(15-13-22)33(29,30)24(21-11-6-16-25-18-21)19-26-32(27,28)17-7-10-20-8-4-3-5-9-20/h3-6,8-9,11-16,18,24,26H,2,7,10,17,19H2,1H3
InChIKeyQHOZCOMSBLGCHE-UHFFFAOYSA-N
XLogP3.55
TPSA102.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.63
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2R)-2-(4-chlorophenyl)sulfonyl-2-pyridin-3-ylethyl]-3-phenylpropane-1-sulfonamide
CID 42272396
N-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]butane-1-sulfonamide
CID 9156583
N-[2-(4-chlorophenyl)sulfonyl-2-pyridin-3-ylethyl]-2-phenylethanesulfonamide
CID 21002129
N-[(2S)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]ethanesulfonamide
CID 9153010
N-[(2R)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]butane-1-sulfonamide
CID 9154520
N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-pyridin-3-ylethyl]butane-1-sulfonamide
CID 9156197
N-[2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-1-(4-methylphenyl)methanesulfonamide
CID 21002175
N-[2-(4-ethoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-4-fluoro-2-methylbenzenesulfonamide
CID 21007728
N-[2-(4-ethoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 21007749
1-(4-chlorophenyl)-N-[2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]methanesulfonamide
CID 21002179
4-chloro-N-[2-(4-ethoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide
CID 21007712
4-tert-butyl-N-[2-(4-ethoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide
CID 21007693

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-3-phenylpropane-1-sulfonamide?
The IUPAC name of N-[2-(4-ethoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-3-phenylpropane-1-sulfonamide (CID 21007747) is N-[2-(4-ethoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-3-phenylpropane-1-sulfonamide.
What is the SMILES notation for N-[2-(4-ethoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-3-phenylpropane-1-sulfonamide?
The canonical SMILES for N-[2-(4-ethoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-3-phenylpropane-1-sulfonamide is CCOc1ccc(S(=O)(=O)C(CNS(=O)(=O)CCCc2ccccc2)c2cccnc2)cc1.
What is the InChIKey of N-[2-(4-ethoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-3-phenylpropane-1-sulfonamide?
The InChIKey is QHOZCOMSBLGCHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O5S2/c1-2-31-22-12-14-23(15-13-22)33(29,30)24(21-11-6-16-25-18-21)19-26-32(27,28)17-7-10-20-8-4-3-5-9-20/h3-6,8-9,11-16,18,24,26H,2,7,10,17,19H2,1H3.
What are the key properties of N-[2-(4-ethoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-3-phenylpropane-1-sulfonamide?
N-[2-(4-ethoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-3-phenylpropane-1-sulfonamide has a molecular weight of 488.63 g/mol, XLogP of 3.55, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-3-phenylpropane-1-sulfonamide is sourced from PubChem (CID 21007747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).