4-(4-methylpiperidin-1-yl)sulfonyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide

C22H28N2O4S2 — CID 1167006

IUPAC4-(4-methylpiperidin-1-yl)sulfonyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide
SMILESCC1CCN(S(=O)(=O)c2ccc(S(=O)(=O)N[C@@H]3CCCc4ccccc43)cc2)CC1
InChIInChI=1S/C22H28N2O4S2/c1-17-13-15-24(16-14-17)30(27,28)20-11-9-19(10-12-20)29(25,26)23-22-8-4-6-18-5-2-3-7-21(18)22/h2-3,5,7,9-12,17,22-23H,4,6,8,13-16H2,1H3/t22-/m1/s1
InChIKeyAIYYDQNREDBDTA-JOCHJYFZSA-N
MW448.61 g/mol
LogP3.46
Rot. Bonds5

About 4-(4-methylpiperidin-1-yl)sulfonyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide

4-(4-methylpiperidin-1-yl)sulfonyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide (PubChem CID 1167006) has the molecular formula C22H28N2O4S2 and a molecular weight of 448.61 g/mol. Its IUPAC name is 4-(4-methylpiperidin-1-yl)sulfonyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-(4-methylpiperidin-1-yl)sulfonyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide
PubChem CID1167006
Molecular FormulaC22H28N2O4S2
Molecular Weight448.61 g/mol
Exact Mass448.15
IUPAC Name4-(4-methylpiperidin-1-yl)sulfonyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide
SMILESCC1CCN(S(=O)(=O)c2ccc(S(=O)(=O)N[C@@H]3CCCc4ccccc43)cc2)CC1
InChIInChI=1S/C22H28N2O4S2/c1-17-13-15-24(16-14-17)30(27,28)20-11-9-19(10-12-20)29(25,26)23-22-8-4-6-18-5-2-3-7-21(18)22/h2-3,5,7,9-12,17,22-23H,4,6,8,13-16H2,1H3/t22-/m1/s1
InChIKeyAIYYDQNREDBDTA-JOCHJYFZSA-N
XLogP3.46
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.61
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(4-methylpiperidin-1-yl)sulfonyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide with MolForge

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Related Compounds

N-(2,3-dihydro-1H-inden-1-yl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide
CID 655689
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-piperidin-1-ylsulfonylbenzenesulfonamide
CID 1166905
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-4-piperidin-1-ylsulfonylbenzenesulfonamide
CID 1166907
sodium N-(1,2,3,4-tetrahydronaphthalen-1-yl)sulfamate
CID 67463776
1-methyl-4-(4-methylpiperidin-1-yl)sulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrole-2-carboxamide
CID 53087272
4-phenoxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzenesulfonamide
CID 43876005
4-pyrazol-1-yl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzenesulfonamide
CID 20914803
1-(4-chlorophenyl)sulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide
CID 3761947
1-(4-methylsulfanylphenyl)sulfonyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide
CID 99131679
N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanesulfonamide
CID 4650012
1-(benzenesulfonyl)-4-methylpiperidine
CID 761422
1-acetyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dihydroindole-5-sulfonamide
CID 3240386

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperidin-1-yl)sulfonyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide?
The IUPAC name of 4-(4-methylpiperidin-1-yl)sulfonyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide (CID 1167006) is 4-(4-methylpiperidin-1-yl)sulfonyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-(4-methylpiperidin-1-yl)sulfonyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide?
The canonical SMILES for 4-(4-methylpiperidin-1-yl)sulfonyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide is CC1CCN(S(=O)(=O)c2ccc(S(=O)(=O)N[C@@H]3CCCc4ccccc43)cc2)CC1.
What is the InChIKey of 4-(4-methylpiperidin-1-yl)sulfonyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide?
The InChIKey is AIYYDQNREDBDTA-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H28N2O4S2/c1-17-13-15-24(16-14-17)30(27,28)20-11-9-19(10-12-20)29(25,26)23-22-8-4-6-18-5-2-3-7-21(18)22/h2-3,5,7,9-12,17,22-23H,4,6,8,13-16H2,1H3/t22-/m1/s1.
What are the key properties of 4-(4-methylpiperidin-1-yl)sulfonyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide?
4-(4-methylpiperidin-1-yl)sulfonyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide has a molecular weight of 448.61 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperidin-1-yl)sulfonyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide is sourced from PubChem (CID 1167006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).