N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]phenyl]naphthalene-1-sulfonamide

C28H35N3O2S — CID 44526704

IUPACN-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]phenyl]naphthalene-1-sulfonamide
SMILESO=S(=O)(Nc1cccc(CCN2CCC(N3CCCCC3)CC2)c1)c1cccc2ccccc12
InChIInChI=1S/C28H35N3O2S/c32-34(33,28-13-7-10-24-9-2-3-12-27(24)28)29-25-11-6-8-23(22-25)14-19-30-20-15-26(16-21-30)31-17-4-1-5-18-31/h2-3,6-13,22,26,29H,1,4-5,14-21H2
InChIKeyZRXODRQUTSEWOQ-UHFFFAOYSA-N
MW477.67 g/mol
LogP5.13
Rot. Bonds7

About N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]phenyl]naphthalene-1-sulfonamide

N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]phenyl]naphthalene-1-sulfonamide (PubChem CID 44526704) has the molecular formula C28H35N3O2S and a molecular weight of 477.67 g/mol. Its IUPAC name is N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]phenyl]naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]phenyl]naphthalene-1-sulfonamide
PubChem CID44526704
Molecular FormulaC28H35N3O2S
Molecular Weight477.67 g/mol
Exact Mass477.24
IUPAC NameN-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]phenyl]naphthalene-1-sulfonamide
SMILESO=S(=O)(Nc1cccc(CCN2CCC(N3CCCCC3)CC2)c1)c1cccc2ccccc12
InChIInChI=1S/C28H35N3O2S/c32-34(33,28-13-7-10-24-9-2-3-12-27(24)28)29-25-11-6-8-23(22-25)14-19-30-20-15-26(16-21-30)31-17-4-1-5-18-31/h2-3,6-13,22,26,29H,1,4-5,14-21H2
InChIKeyZRXODRQUTSEWOQ-UHFFFAOYSA-N
XLogP5.13
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.67
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N1-dansyl-spermine
CID 9889212
N-(Cyclohexylmethyl)-N-(3-(4-phenylpiperazin-1-yl)propyl)naphthalene-2-sulfonamide
CID 46232622
N-(1-benzylidene-3-(2-(dimethylamino)ethyl)-2-methyl-1H-inden-5-yl)naphthalene-2-sulfonamide
CID 16718826
N-(3-(2-(dimethylamino)ethyl)-2-methyl-1H-inden-5-yl)naphthalene-2-sulfonamide
CID 16718827
N-{3-[2-(Dimethylamino)ethyl]-2-methyl-1H-inden-5-yl}naphthalene-1-sulfonamide
CID 16718916
Naphthalene-2-sulfonic acid [3-(4-methylpiperazin-1-yl)phenyl]amide
CID 18180076
3-(2-(dimethylamino)ethyl)-2-methyl-N-(naphthalen-1-yl)-1H-indene-5-sulfonamide
CID 25208878
N-(3-(4-phenylpiperazin-1-yl)propyl)naphthalene-2-sulfonamide
CID 42389129
Naphthalene-2-sulfonic acid {3-[4-(3-trifluoromethylphenyl)-piperazin-1-yl]-propyl}-amide
CID 42635204
Naphthalene-1-sulfonic acid isopropyl-[3-(4-methyl-piperazin-1-yl)-phenyl]-amide
CID 46866711
5-(dimethylamino)-N-[3-(methylamino)-1-phenylpropyl]naphthalene-1-sulfonamide
CID 10408519
Naphthalene-2-sulfonic acid {3-[4-(2-fluorophenyl)-piperazin-1-yl]-propyl}-amide
CID 42388965

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]phenyl]naphthalene-1-sulfonamide?
The IUPAC name of N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]phenyl]naphthalene-1-sulfonamide (CID 44526704) is N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]phenyl]naphthalene-1-sulfonamide.
What is the SMILES notation for N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]phenyl]naphthalene-1-sulfonamide?
The canonical SMILES for N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]phenyl]naphthalene-1-sulfonamide is O=S(=O)(Nc1cccc(CCN2CCC(N3CCCCC3)CC2)c1)c1cccc2ccccc12.
What is the InChIKey of N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]phenyl]naphthalene-1-sulfonamide?
The InChIKey is ZRXODRQUTSEWOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N3O2S/c32-34(33,28-13-7-10-24-9-2-3-12-27(24)28)29-25-11-6-8-23(22-25)14-19-30-20-15-26(16-21-30)31-17-4-1-5-18-31/h2-3,6-13,22,26,29H,1,4-5,14-21H2.
What are the key properties of N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]phenyl]naphthalene-1-sulfonamide?
N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]phenyl]naphthalene-1-sulfonamide has a molecular weight of 477.67 g/mol, XLogP of 5.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]phenyl]naphthalene-1-sulfonamide is sourced from PubChem (CID 44526704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).