N-(cyclohexylmethyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]naphthalene-2-sulfonamide

C30H39N3O2S — CID 46232622

IUPACN-(cyclohexylmethyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]naphthalene-2-sulfonamide
SMILESO=S(=O)(c1ccc2ccccc2c1)N(CCCN1CCN(c2ccccc2)CC1)CC1CCCCC1
InChIInChI=1S/C30H39N3O2S/c34-36(35,30-17-16-27-12-7-8-13-28(27)24-30)33(25-26-10-3-1-4-11-26)19-9-18-31-20-22-32(23-21-31)29-14-5-2-6-15-29/h2,5-8,12-17,24,26H,1,3-4,9-11,18-23,25H2
InChIKeyLOLCALFUQXGZTP-UHFFFAOYSA-N
MW505.73 g/mol
LogP5.62
Rot. Bonds9

About N-(cyclohexylmethyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]naphthalene-2-sulfonamide

N-(cyclohexylmethyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]naphthalene-2-sulfonamide (PubChem CID 46232622) has the molecular formula C30H39N3O2S and a molecular weight of 505.73 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]naphthalene-2-sulfonamide
PubChem CID46232622
Molecular FormulaC30H39N3O2S
Molecular Weight505.73 g/mol
Exact Mass505.28
IUPAC NameN-(cyclohexylmethyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]naphthalene-2-sulfonamide
SMILESO=S(=O)(c1ccc2ccccc2c1)N(CCCN1CCN(c2ccccc2)CC1)CC1CCCCC1
InChIInChI=1S/C30H39N3O2S/c34-36(35,30-17-16-27-12-7-8-13-28(27)24-30)33(25-26-10-3-1-4-11-26)19-9-18-31-20-22-32(23-21-31)29-14-5-2-6-15-29/h2,5-8,12-17,24,26H,1,3-4,9-11,18-23,25H2
InChIKeyLOLCALFUQXGZTP-UHFFFAOYSA-N
XLogP5.62
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.73
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]naphthalene-2-sulfonamide?
The IUPAC name of N-(cyclohexylmethyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]naphthalene-2-sulfonamide (CID 46232622) is N-(cyclohexylmethyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-(cyclohexylmethyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]naphthalene-2-sulfonamide?
The canonical SMILES for N-(cyclohexylmethyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]naphthalene-2-sulfonamide is O=S(=O)(c1ccc2ccccc2c1)N(CCCN1CCN(c2ccccc2)CC1)CC1CCCCC1.
What is the InChIKey of N-(cyclohexylmethyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]naphthalene-2-sulfonamide?
The InChIKey is LOLCALFUQXGZTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H39N3O2S/c34-36(35,30-17-16-27-12-7-8-13-28(27)24-30)33(25-26-10-3-1-4-11-26)19-9-18-31-20-22-32(23-21-31)29-14-5-2-6-15-29/h2,5-8,12-17,24,26H,1,3-4,9-11,18-23,25H2.
What are the key properties of N-(cyclohexylmethyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]naphthalene-2-sulfonamide?
N-(cyclohexylmethyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]naphthalene-2-sulfonamide has a molecular weight of 505.73 g/mol, XLogP of 5.62, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]naphthalene-2-sulfonamide is sourced from PubChem (CID 46232622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).