N-[3-(4-methylpiperazin-1-yl)phenyl]naphthalene-2-sulfonamide

C21H23N3O2S — CID 18180076

IUPACN-[3-(4-methylpiperazin-1-yl)phenyl]naphthalene-2-sulfonamide
SMILESCN1CCN(c2cccc(NS(=O)(=O)c3ccc4ccccc4c3)c2)CC1
InChIInChI=1S/C21H23N3O2S/c1-23-11-13-24(14-12-23)20-8-4-7-19(16-20)22-27(25,26)21-10-9-17-5-2-3-6-18(17)15-21/h2-10,15-16,22H,11-14H2,1H3
InChIKeyVAEXXTRBLCNPTN-UHFFFAOYSA-N
MW381.50 g/mol
LogP3.39
Rot. Bonds4

About N-[3-(4-methylpiperazin-1-yl)phenyl]naphthalene-2-sulfonamide

N-[3-(4-methylpiperazin-1-yl)phenyl]naphthalene-2-sulfonamide (PubChem CID 18180076) has the molecular formula C21H23N3O2S and a molecular weight of 381.50 g/mol. Its IUPAC name is N-[3-(4-methylpiperazin-1-yl)phenyl]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[3-(4-methylpiperazin-1-yl)phenyl]naphthalene-2-sulfonamide
PubChem CID18180076
Molecular FormulaC21H23N3O2S
Molecular Weight381.50 g/mol
Exact Mass381.15
IUPAC NameN-[3-(4-methylpiperazin-1-yl)phenyl]naphthalene-2-sulfonamide
SMILESCN1CCN(c2cccc(NS(=O)(=O)c3ccc4ccccc4c3)c2)CC1
InChIInChI=1S/C21H23N3O2S/c1-23-11-13-24(14-12-23)20-8-4-7-19(16-20)22-27(25,26)21-10-9-17-5-2-3-6-18(17)15-21/h2-10,15-16,22H,11-14H2,1H3
InChIKeyVAEXXTRBLCNPTN-UHFFFAOYSA-N
XLogP3.39
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_H(6)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methylpiperazin-1-yl)phenyl]naphthalene-2-sulfonamide?
The IUPAC name of N-[3-(4-methylpiperazin-1-yl)phenyl]naphthalene-2-sulfonamide (CID 18180076) is N-[3-(4-methylpiperazin-1-yl)phenyl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-[3-(4-methylpiperazin-1-yl)phenyl]naphthalene-2-sulfonamide?
The canonical SMILES for N-[3-(4-methylpiperazin-1-yl)phenyl]naphthalene-2-sulfonamide is CN1CCN(c2cccc(NS(=O)(=O)c3ccc4ccccc4c3)c2)CC1.
What is the InChIKey of N-[3-(4-methylpiperazin-1-yl)phenyl]naphthalene-2-sulfonamide?
The InChIKey is VAEXXTRBLCNPTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2S/c1-23-11-13-24(14-12-23)20-8-4-7-19(16-20)22-27(25,26)21-10-9-17-5-2-3-6-18(17)15-21/h2-10,15-16,22H,11-14H2,1H3.
What are the key properties of N-[3-(4-methylpiperazin-1-yl)phenyl]naphthalene-2-sulfonamide?
N-[3-(4-methylpiperazin-1-yl)phenyl]naphthalene-2-sulfonamide has a molecular weight of 381.50 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methylpiperazin-1-yl)phenyl]naphthalene-2-sulfonamide is sourced from PubChem (CID 18180076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).