N-[(2R)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]butane-1-sulfonamide

C18H24N2O4S2 — CID 9154520

IUPACN-[(2R)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NC[C@@H](c1cccnc1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C18H24N2O4S2/c1-3-4-12-25(21,22)20-14-18(16-6-5-11-19-13-16)26(23,24)17-9-7-15(2)8-10-17/h5-11,13,18,20H,3-4,12,14H2,1-2H3/t18-/m0/s1
InChIKeyPCYYMCHVYKKFCR-SFHVURJKSA-N
MW396.53 g/mol
LogP2.62
Rot. Bonds9

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

N-[(2R)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]butane-1-sulfonamide (PubChem CID 9154520) has the molecular formula C18H24N2O4S2 and a molecular weight of 396.53 g/mol. Its IUPAC name is N-[(2R)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[(2R)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]butane-1-sulfonamide
PubChem CID9154520
Molecular FormulaC18H24N2O4S2
Molecular Weight396.53 g/mol
Exact Mass396.12
IUPAC NameN-[(2R)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NC[C@@H](c1cccnc1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C18H24N2O4S2/c1-3-4-12-25(21,22)20-14-18(16-6-5-11-19-13-16)26(23,24)17-9-7-15(2)8-10-17/h5-11,13,18,20H,3-4,12,14H2,1-2H3/t18-/m0/s1
InChIKeyPCYYMCHVYKKFCR-SFHVURJKSA-N
XLogP2.62
TPSA93.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.53
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-pyridin-3-ylethyl]butane-1-sulfonamide
CID 9156197
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
N-[(2R)-2-(2,5-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]butane-1-sulfonamide
CID 9158307
N-[(2S)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]ethanesulfonamide
CID 9153010
N-[2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-1-(4-methylphenyl)methanesulfonamide
CID 21002175
N-ethyl-N'-[(2R)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]oxamide
CID 9155037
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]-3-phenylpropane-1-sulfonamide
CID 42272396
2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethanamine
CID 16641343
N-methyl-N'-[(2S)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]oxamide
CID 9155029
3-chloro-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]propanamide
CID 9154652

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]butane-1-sulfonamide?
The IUPAC name of N-[(2R)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]butane-1-sulfonamide (CID 9154520) is N-[(2R)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]butane-1-sulfonamide.
What is the SMILES notation for N-[(2R)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]butane-1-sulfonamide?
The canonical SMILES for N-[(2R)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]butane-1-sulfonamide is CCCCS(=O)(=O)NC[C@@H](c1cccnc1)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-[(2R)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]butane-1-sulfonamide?
The InChIKey is PCYYMCHVYKKFCR-SFHVURJKSA-N. The full InChI is InChI=1S/C18H24N2O4S2/c1-3-4-12-25(21,22)20-14-18(16-6-5-11-19-13-16)26(23,24)17-9-7-15(2)8-10-17/h5-11,13,18,20H,3-4,12,14H2,1-2H3/t18-/m0/s1.
What are the key properties of N-[(2R)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]butane-1-sulfonamide?
N-[(2R)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]butane-1-sulfonamide has a molecular weight of 396.53 g/mol, XLogP of 2.62, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]butane-1-sulfonamide is sourced from PubChem (CID 9154520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).