2,3,5,6-tetramethyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzenesulfonamide

C22H30N2O4S2 — CID 3914905

IUPAC2,3,5,6-tetramethyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2c(C)c(C)cc(C)c2C)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C22H30N2O4S2/c1-15-9-10-20(14-21(15)30(27,28)24-11-7-6-8-12-24)23-29(25,26)22-18(4)16(2)13-17(3)19(22)5/h9-10,13-14,23H,6-8,11-12H2,1-5H3
InChIKeyIHATVDBEIGSUCD-UHFFFAOYSA-N
MW450.63 g/mol
LogP4.20
Rot. Bonds5

About 2,3,5,6-tetramethyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzenesulfonamide

2,3,5,6-tetramethyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzenesulfonamide (PubChem CID 3914905) has the molecular formula C22H30N2O4S2 and a molecular weight of 450.63 g/mol. Its IUPAC name is 2,3,5,6-tetramethyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name2,3,5,6-tetramethyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzenesulfonamide
PubChem CID3914905
Molecular FormulaC22H30N2O4S2
Molecular Weight450.63 g/mol
Exact Mass450.16
IUPAC Name2,3,5,6-tetramethyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2c(C)c(C)cc(C)c2C)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C22H30N2O4S2/c1-15-9-10-20(14-21(15)30(27,28)24-11-7-6-8-12-24)23-29(25,26)22-18(4)16(2)13-17(3)19(22)5/h9-10,13-14,23H,6-8,11-12H2,1-5H3
InChIKeyIHATVDBEIGSUCD-UHFFFAOYSA-N
XLogP4.20
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.63
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-3-nitrobenzenesulfonamide
CID 26978988
4-chloro-2-fluoro-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzenesulfonamide
CID 26978979
3-[(4-methyl-3-piperidin-1-ylsulfonylphenyl)sulfamoyl]benzoic acid
CID 3263059
4-(2-methoxyethoxy)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzenesulfonamide
CID 30867486
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 30713260
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]propanamide
CID 26522243
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-(methylamino)acetamide
CID 119675127
3-chloro-N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2-methylbenzenesulfonamide
CID 60532701
3,5-dimethyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzamide
CID 24635475
1-(5-bromo-2-methylphenyl)sulfonylazepane
CID 876435
2-[3-(azepan-1-ylsulfonyl)-4-methylanilino]-N,N-dimethylacetamide
CID 32898605
4-chloro-N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2-methylbenzenesulfonamide
CID 60532674

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetramethyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzenesulfonamide?
The IUPAC name of 2,3,5,6-tetramethyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzenesulfonamide (CID 3914905) is 2,3,5,6-tetramethyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzenesulfonamide.
What is the SMILES notation for 2,3,5,6-tetramethyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzenesulfonamide?
The canonical SMILES for 2,3,5,6-tetramethyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzenesulfonamide is Cc1ccc(NS(=O)(=O)c2c(C)c(C)cc(C)c2C)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of 2,3,5,6-tetramethyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzenesulfonamide?
The InChIKey is IHATVDBEIGSUCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O4S2/c1-15-9-10-20(14-21(15)30(27,28)24-11-7-6-8-12-24)23-29(25,26)22-18(4)16(2)13-17(3)19(22)5/h9-10,13-14,23H,6-8,11-12H2,1-5H3.
What are the key properties of 2,3,5,6-tetramethyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzenesulfonamide?
2,3,5,6-tetramethyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzenesulfonamide has a molecular weight of 450.63 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetramethyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzenesulfonamide is sourced from PubChem (CID 3914905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).