N-[4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]-4-methoxybenzenesulfonamide

C20H26N2O5S2 — CID 27528641

IUPACN-[4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)C[C@H](C)C3)cc2)cc1
InChIInChI=1S/C20H26N2O5S2/c1-15-12-16(2)14-22(13-15)29(25,26)20-8-4-17(5-9-20)21-28(23,24)19-10-6-18(27-3)7-11-19/h4-11,15-16,21H,12-14H2,1-3H3/t15-,16+
InChIKeyFXYSTKNHIGHUED-IYBDPMFKSA-N
MW438.57 g/mol
LogP3.16
Rot. Bonds6

About N-[4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]-4-methoxybenzenesulfonamide

N-[4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]-4-methoxybenzenesulfonamide (PubChem CID 27528641) has the molecular formula C20H26N2O5S2 and a molecular weight of 438.57 g/mol. Its IUPAC name is N-[4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]-4-methoxybenzenesulfonamide
PubChem CID27528641
Molecular FormulaC20H26N2O5S2
Molecular Weight438.57 g/mol
Exact Mass438.13
IUPAC NameN-[4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)C[C@H](C)C3)cc2)cc1
InChIInChI=1S/C20H26N2O5S2/c1-15-12-16(2)14-22(13-15)29(25,26)20-8-4-17(5-9-20)21-28(23,24)19-10-6-18(27-3)7-11-19/h4-11,15-16,21H,12-14H2,1-3H3/t15-,16+
InChIKeyFXYSTKNHIGHUED-IYBDPMFKSA-N
XLogP3.16
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.57
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]-4-methoxybenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-1-ethylpyrazole-4-sulfonamide
CID 17263026
3,5-dimethyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine
CID 17441399
N-[4-(cyclopropylamino)phenyl]-4-methoxybenzenesulfonamide
CID 112980023
2-(2,4-dimethoxyphenyl)-N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 46809551
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 119973313
4-(4-methoxyphenyl)sulfonyl-2,6-dimethylmorpholine
CID 2851611
N-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]butane-1-sulfonamide
CID 27521347
4-chloro-N-(4-methoxyphenyl)benzenesulfonamide
CID 722849
(2R)-1,4-bis[(4-methoxyphenyl)sulfonyl]-2-methylpiperazine
CID 51708398
3,5-dimethyl-1-(4-methylphenyl)sulfonylpiperidine
CID 3769436
4-methoxy-N-phenylbenzenesulfonamide
CID 835273
4-fluoro-N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]benzenesulfonamide
CID 7343180

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]-4-methoxybenzenesulfonamide?
The IUPAC name of N-[4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]-4-methoxybenzenesulfonamide (CID 27528641) is N-[4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)C[C@H](C)C3)cc2)cc1.
What is the InChIKey of N-[4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]-4-methoxybenzenesulfonamide?
The InChIKey is FXYSTKNHIGHUED-IYBDPMFKSA-N. The full InChI is InChI=1S/C20H26N2O5S2/c1-15-12-16(2)14-22(13-15)29(25,26)20-8-4-17(5-9-20)21-28(23,24)19-10-6-18(27-3)7-11-19/h4-11,15-16,21H,12-14H2,1-3H3/t15-,16+.
What are the key properties of N-[4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]-4-methoxybenzenesulfonamide?
N-[4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]-4-methoxybenzenesulfonamide has a molecular weight of 438.57 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 27528641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).