N-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]butane-1-sulfonamide

C18H24N2O5S2 — CID 9156583

IUPACN-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NC[C@H](c1cccnc1)S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C18H24N2O5S2/c1-3-4-12-26(21,22)20-14-18(15-6-5-11-19-13-15)27(23,24)17-9-7-16(25-2)8-10-17/h5-11,13,18,20H,3-4,12,14H2,1-2H3/t18-/m1/s1
InChIKeyPNYWMNYUDDCFFO-GOSISDBHSA-N
MW412.53 g/mol
LogP2.32
Rot. Bonds10

About N-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]butane-1-sulfonamide

N-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]butane-1-sulfonamide (PubChem CID 9156583) has the molecular formula C18H24N2O5S2 and a molecular weight of 412.53 g/mol. Its IUPAC name is N-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]butane-1-sulfonamide
PubChem CID9156583
Molecular FormulaC18H24N2O5S2
Molecular Weight412.53 g/mol
Exact Mass412.11
IUPAC NameN-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NC[C@H](c1cccnc1)S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C18H24N2O5S2/c1-3-4-12-26(21,22)20-14-18(15-6-5-11-19-13-15)27(23,24)17-9-7-16(25-2)8-10-17/h5-11,13,18,20H,3-4,12,14H2,1-2H3/t18-/m1/s1
InChIKeyPNYWMNYUDDCFFO-GOSISDBHSA-N
XLogP2.32
TPSA102.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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
1-(4-chlorophenyl)-N-[2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]methanesulfonamide
CID 21002179
N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]butane-1-sulfonamide
CID 21007653
N-[2-(4-ethoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-3-phenylpropane-1-sulfonamide
CID 21007747
N'-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-N-propyloxamide
CID 9156929
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
N-[(2S)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]ethanesulfonamide
CID 9153010
N'-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-N-(2-methylpropyl)oxamide
CID 9156975
2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethanamine;dihydrochloride
CID 20982708

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]butane-1-sulfonamide?
The IUPAC name of N-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]butane-1-sulfonamide (CID 9156583) is N-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]butane-1-sulfonamide.
What is the SMILES notation for N-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]butane-1-sulfonamide?
The canonical SMILES for N-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]butane-1-sulfonamide is CCCCS(=O)(=O)NC[C@H](c1cccnc1)S(=O)(=O)c1ccc(OC)cc1.
What is the InChIKey of N-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]butane-1-sulfonamide?
The InChIKey is PNYWMNYUDDCFFO-GOSISDBHSA-N. The full InChI is InChI=1S/C18H24N2O5S2/c1-3-4-12-26(21,22)20-14-18(15-6-5-11-19-13-15)27(23,24)17-9-7-16(25-2)8-10-17/h5-11,13,18,20H,3-4,12,14H2,1-2H3/t18-/m1/s1.
What are the key properties of N-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]butane-1-sulfonamide?
N-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]butane-1-sulfonamide has a molecular weight of 412.53 g/mol, XLogP of 2.32, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]butane-1-sulfonamide is sourced from PubChem (CID 9156583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).