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

C30H38FN3O2S — CID 46232653

IUPACN-(cyclohexylmethyl)-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]naphthalene-2-sulfonamide
SMILESO=S(=O)(c1ccc2ccccc2c1)N(CCCN1CCN(c2ccc(F)cc2)CC1)CC1CCCCC1
InChIInChI=1S/C30H38FN3O2S/c31-28-12-14-29(15-13-28)33-21-19-32(20-22-33)17-6-18-34(24-25-7-2-1-3-8-25)37(35,36)30-16-11-26-9-4-5-10-27(26)23-30/h4-5,9-16,23,25H,1-3,6-8,17-22,24H2
InChIKeyLSGJWSJZDUYGNN-UHFFFAOYSA-N
MW523.72 g/mol
LogP5.76
Rot. Bonds9

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

N-(cyclohexylmethyl)-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]naphthalene-2-sulfonamide (PubChem CID 46232653) has the molecular formula C30H38FN3O2S and a molecular weight of 523.72 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]naphthalene-2-sulfonamide
PubChem CID46232653
Molecular FormulaC30H38FN3O2S
Molecular Weight523.72 g/mol
Exact Mass523.27
IUPAC NameN-(cyclohexylmethyl)-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]naphthalene-2-sulfonamide
SMILESO=S(=O)(c1ccc2ccccc2c1)N(CCCN1CCN(c2ccc(F)cc2)CC1)CC1CCCCC1
InChIInChI=1S/C30H38FN3O2S/c31-28-12-14-29(15-13-28)33-21-19-32(20-22-33)17-6-18-34(24-25-7-2-1-3-8-25)37(35,36)30-16-11-26-9-4-5-10-27(26)23-30/h4-5,9-16,23,25H,1-3,6-8,17-22,24H2
InChIKeyLSGJWSJZDUYGNN-UHFFFAOYSA-N
XLogP5.76
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.72
LogP ≤ 55.76
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-(4-fluorophenyl)piperazin-1-yl]propyl]naphthalene-2-sulfonamide?
The IUPAC name of N-(cyclohexylmethyl)-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]naphthalene-2-sulfonamide (CID 46232653) is N-(cyclohexylmethyl)-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-(cyclohexylmethyl)-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]naphthalene-2-sulfonamide?
The canonical SMILES for N-(cyclohexylmethyl)-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]naphthalene-2-sulfonamide is O=S(=O)(c1ccc2ccccc2c1)N(CCCN1CCN(c2ccc(F)cc2)CC1)CC1CCCCC1.
What is the InChIKey of N-(cyclohexylmethyl)-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]naphthalene-2-sulfonamide?
The InChIKey is LSGJWSJZDUYGNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38FN3O2S/c31-28-12-14-29(15-13-28)33-21-19-32(20-22-33)17-6-18-34(24-25-7-2-1-3-8-25)37(35,36)30-16-11-26-9-4-5-10-27(26)23-30/h4-5,9-16,23,25H,1-3,6-8,17-22,24H2.
What are the key properties of N-(cyclohexylmethyl)-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]naphthalene-2-sulfonamide?
N-(cyclohexylmethyl)-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]naphthalene-2-sulfonamide has a molecular weight of 523.72 g/mol, XLogP of 5.76, 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-(4-fluorophenyl)piperazin-1-yl]propyl]naphthalene-2-sulfonamide is sourced from PubChem (CID 46232653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).