N-(3-cyclopentylsulfonylphenyl)-2,4,6-trimethylbenzenesulfonamide

C20H25NO4S2 — CID 38945156

IUPACN-(3-cyclopentylsulfonylphenyl)-2,4,6-trimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2cccc(S(=O)(=O)C3CCCC3)c2)c(C)c1
InChIInChI=1S/C20H25NO4S2/c1-14-11-15(2)20(16(3)12-14)27(24,25)21-17-7-6-10-19(13-17)26(22,23)18-8-4-5-9-18/h6-7,10-13,18,21H,4-5,8-9H2,1-3H3
InChIKeyXZYKNWUNHUCNBL-UHFFFAOYSA-N
MW407.56 g/mol
LogP4.13
Rot. Bonds5

About N-(3-cyclopentylsulfonylphenyl)-2,4,6-trimethylbenzenesulfonamide

N-(3-cyclopentylsulfonylphenyl)-2,4,6-trimethylbenzenesulfonamide (PubChem CID 38945156) has the molecular formula C20H25NO4S2 and a molecular weight of 407.56 g/mol. Its IUPAC name is N-(3-cyclopentylsulfonylphenyl)-2,4,6-trimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-cyclopentylsulfonylphenyl)-2,4,6-trimethylbenzenesulfonamide
PubChem CID38945156
Molecular FormulaC20H25NO4S2
Molecular Weight407.56 g/mol
Exact Mass407.12
IUPAC NameN-(3-cyclopentylsulfonylphenyl)-2,4,6-trimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2cccc(S(=O)(=O)C3CCCC3)c2)c(C)c1
InChIInChI=1S/C20H25NO4S2/c1-14-11-15(2)20(16(3)12-14)27(24,25)21-17-7-6-10-19(13-17)26(22,23)18-8-4-5-9-18/h6-7,10-13,18,21H,4-5,8-9H2,1-3H3
InChIKeyXZYKNWUNHUCNBL-UHFFFAOYSA-N
XLogP4.13
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-cyclopentylsulfonylphenyl)thiophene-2-sulfonamide
CID 38945179
N-(3-methoxyphenyl)-2,4,6-trimethylbenzenesulfonamide
CID 779111
3-acetamido-N-(3-cyclopentylsulfonylphenyl)-4-methylbenzamide
CID 46473011
2,4,6-trimethyl-N-[6-(3-methylanilino)-3-pyridinyl]benzenesulfonamide
CID 113016284
2,4,6-trimethyl-N-[4-(pyridin-3-ylsulfamoyl)phenyl]benzenesulfonamide
CID 92646116
N-(4-bromo-3-methylphenyl)-2,4,6-trimethylbenzenesulfonamide
CID 1087335
N-methyl-3-piperidin-4-ylsulfonylaniline
CID 139989076
N-methyl-1-[3-[(2,4,6-trimethylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxamide
CID 20974051
N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-2,4,6-trimethylbenzenesulfonamide
CID 1319427
N-cyclopropyl-1-[3-[(2,4,6-trimethylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxamide
CID 20974015
N-(3-methylphenyl)-3-[3-[(3-methylphenyl)sulfamoyl]phenyl]sulfonylbenzenesulfonamide
CID 3091379
2,4,6-trimethyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide
CID 110643728

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopentylsulfonylphenyl)-2,4,6-trimethylbenzenesulfonamide?
The IUPAC name of N-(3-cyclopentylsulfonylphenyl)-2,4,6-trimethylbenzenesulfonamide (CID 38945156) is N-(3-cyclopentylsulfonylphenyl)-2,4,6-trimethylbenzenesulfonamide.
What is the SMILES notation for N-(3-cyclopentylsulfonylphenyl)-2,4,6-trimethylbenzenesulfonamide?
The canonical SMILES for N-(3-cyclopentylsulfonylphenyl)-2,4,6-trimethylbenzenesulfonamide is Cc1cc(C)c(S(=O)(=O)Nc2cccc(S(=O)(=O)C3CCCC3)c2)c(C)c1.
What is the InChIKey of N-(3-cyclopentylsulfonylphenyl)-2,4,6-trimethylbenzenesulfonamide?
The InChIKey is XZYKNWUNHUCNBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4S2/c1-14-11-15(2)20(16(3)12-14)27(24,25)21-17-7-6-10-19(13-17)26(22,23)18-8-4-5-9-18/h6-7,10-13,18,21H,4-5,8-9H2,1-3H3.
What are the key properties of N-(3-cyclopentylsulfonylphenyl)-2,4,6-trimethylbenzenesulfonamide?
N-(3-cyclopentylsulfonylphenyl)-2,4,6-trimethylbenzenesulfonamide has a molecular weight of 407.56 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopentylsulfonylphenyl)-2,4,6-trimethylbenzenesulfonamide is sourced from PubChem (CID 38945156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).