N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]naphthalene-2-sulfonamide

C23H26N2O2S — CID 26542141

IUPACN-[[2-(piperidin-1-ylmethyl)phenyl]methyl]naphthalene-2-sulfonamide
SMILESO=S(=O)(NCc1ccccc1CN1CCCCC1)c1ccc2ccccc2c1
InChIInChI=1S/C23H26N2O2S/c26-28(27,23-13-12-19-8-2-3-9-20(19)16-23)24-17-21-10-4-5-11-22(21)18-25-14-6-1-7-15-25/h2-5,8-13,16,24H,1,6-7,14-15,17-18H2
InChIKeyTVRJPGKIRWSMQG-UHFFFAOYSA-N
MW394.54 g/mol
LogP4.30
Rot. Bonds6

About N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]naphthalene-2-sulfonamide

N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]naphthalene-2-sulfonamide (PubChem CID 26542141) has the molecular formula C23H26N2O2S and a molecular weight of 394.54 g/mol. Its IUPAC name is N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[[2-(piperidin-1-ylmethyl)phenyl]methyl]naphthalene-2-sulfonamide
PubChem CID26542141
Molecular FormulaC23H26N2O2S
Molecular Weight394.54 g/mol
Exact Mass394.17
IUPAC NameN-[[2-(piperidin-1-ylmethyl)phenyl]methyl]naphthalene-2-sulfonamide
SMILESO=S(=O)(NCc1ccccc1CN1CCCCC1)c1ccc2ccccc2c1
InChIInChI=1S/C23H26N2O2S/c26-28(27,23-13-12-19-8-2-3-9-20(19)16-23)24-17-21-10-4-5-11-22(21)18-25-14-6-1-7-15-25/h2-5,8-13,16,24H,1,6-7,14-15,17-18H2
InChIKeyTVRJPGKIRWSMQG-UHFFFAOYSA-N
XLogP4.30
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.54
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzenesulfonamide
CID 38258362
2-oxo-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1,3-dihydrobenzimidazole-5-sulfonamide
CID 9452865
3-cyano-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzenesulfonamide
CID 26542199
3-chloro-4-cyano-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzenesulfonamide
CID 55904626
N-[(2-bromophenyl)methyl]naphthalene-2-sulfonamide
CID 3742341
N-[[4-(piperidine-1-carbonyl)phenyl]methyl]naphthalene-2-sulfonamide
CID 8573229
2-nitro-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzenesulfonamide
CID 38258386
3-(naphthalen-2-ylsulfonylamino)-N-piperidin-1-ylpropanamide
CID 9271723
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 9190592
N-[2-(naphthalen-2-ylsulfonylamino)ethyl]naphthalene-2-sulfonamide
CID 30170513
N-benzyl-4-(piperidin-1-ylmethyl)benzenesulfonamide
CID 71050440
4-methylsulfonyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzenesulfonamide
CID 31534702

Frequently Asked Questions

What is the IUPAC name of N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]naphthalene-2-sulfonamide?
The IUPAC name of N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]naphthalene-2-sulfonamide (CID 26542141) is N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]naphthalene-2-sulfonamide?
The canonical SMILES for N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]naphthalene-2-sulfonamide is O=S(=O)(NCc1ccccc1CN1CCCCC1)c1ccc2ccccc2c1.
What is the InChIKey of N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]naphthalene-2-sulfonamide?
The InChIKey is TVRJPGKIRWSMQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2S/c26-28(27,23-13-12-19-8-2-3-9-20(19)16-23)24-17-21-10-4-5-11-22(21)18-25-14-6-1-7-15-25/h2-5,8-13,16,24H,1,6-7,14-15,17-18H2.
What are the key properties of N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]naphthalene-2-sulfonamide?
N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]naphthalene-2-sulfonamide has a molecular weight of 394.54 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]naphthalene-2-sulfonamide is sourced from PubChem (CID 26542141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).