N-[2-methyl-5-(4-methylpiperazine-1-carbonyl)phenyl]naphthalene-2-sulfonamide

C23H25N3O3S — CID 10320106

IUPACN-[2-methyl-5-(4-methylpiperazine-1-carbonyl)phenyl]naphthalene-2-sulfonamide
SMILESCc1ccc(C(=O)N2CCN(C)CC2)cc1NS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C23H25N3O3S/c1-17-7-8-20(23(27)26-13-11-25(2)12-14-26)16-22(17)24-30(28,29)21-10-9-18-5-3-4-6-19(18)15-21/h3-10,15-16,24H,11-14H2,1-2H3
InChIKeyZIQUIYMCJWQXQZ-UHFFFAOYSA-N
MW423.54 g/mol
LogP3.34
Rot. Bonds4

About N-[2-methyl-5-(4-methylpiperazine-1-carbonyl)phenyl]naphthalene-2-sulfonamide

N-[2-methyl-5-(4-methylpiperazine-1-carbonyl)phenyl]naphthalene-2-sulfonamide (PubChem CID 10320106) has the molecular formula C23H25N3O3S and a molecular weight of 423.54 g/mol. Its IUPAC name is N-[2-methyl-5-(4-methylpiperazine-1-carbonyl)phenyl]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-methyl-5-(4-methylpiperazine-1-carbonyl)phenyl]naphthalene-2-sulfonamide
PubChem CID10320106
Molecular FormulaC23H25N3O3S
Molecular Weight423.54 g/mol
Exact Mass423.16
IUPAC NameN-[2-methyl-5-(4-methylpiperazine-1-carbonyl)phenyl]naphthalene-2-sulfonamide
SMILESCc1ccc(C(=O)N2CCN(C)CC2)cc1NS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C23H25N3O3S/c1-17-7-8-20(23(27)26-13-11-25(2)12-14-26)16-22(17)24-30(28,29)21-10-9-18-5-3-4-6-19(18)15-21/h3-10,15-16,24H,11-14H2,1-2H3
InChIKeyZIQUIYMCJWQXQZ-UHFFFAOYSA-N
XLogP3.34
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-methyl-5-(4-methylpiperazine-1-carbonyl)phenyl]naphthalene-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-3-(naphthalen-2-ylsulfonylamino)benzoic acid
CID 2451680
N,N,4-trimethyl-3-(naphthalen-2-ylsulfonylamino)benzamide
CID 60534940
N-[2-(pyrrolidine-1-carbonyl)phenyl]naphthalene-2-sulfonamide
CID 1095030
N-[5-[4-(2,2-dichloroacetyl)piperazine-1-carbonyl]-2-(4-propan-2-ylpiperazin-1-yl)phenyl]naphthalene-2-sulfonamide
CID 171481886
N-(2-methylphenyl)naphthalene-2-sulfonamide
CID 3308551
4-chloro-N-[2-methyl-5-(morpholine-4-carbonyl)phenyl]benzenesulfonamide
CID 99637235
4-[3-(naphthalen-2-ylsulfonylamino)-4-(4-propan-2-ylpiperazin-1-yl)benzoyl]piperazine-1-carbonyl cyanide
CID 171481884
N-[2-methyl-5-(2-pentan-2-yl-1,4-diazepane-1-carbonyl)phenyl]naphthalene-2-sulfonamide
CID 90840101
N-(4-methoxyphenyl)-3-(4-methylpiperazine-1-carbonyl)benzenesulfonamide
CID 7908038
N-(5-chloro-2-methylphenyl)-3-(piperidine-1-carbonyl)benzenesulfonamide
CID 109063322
N-methyl-3-(4-methylpiperazine-1-carbonyl)benzenesulfonamide
CID 51160647
N-[4-[4-(2-hydroxybenzoyl)piperazine-1-carbonyl]phenyl]-3,4-dimethylbenzenesulfonamide
CID 55646281

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-(4-methylpiperazine-1-carbonyl)phenyl]naphthalene-2-sulfonamide?
The IUPAC name of N-[2-methyl-5-(4-methylpiperazine-1-carbonyl)phenyl]naphthalene-2-sulfonamide (CID 10320106) is N-[2-methyl-5-(4-methylpiperazine-1-carbonyl)phenyl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-[2-methyl-5-(4-methylpiperazine-1-carbonyl)phenyl]naphthalene-2-sulfonamide?
The canonical SMILES for N-[2-methyl-5-(4-methylpiperazine-1-carbonyl)phenyl]naphthalene-2-sulfonamide is Cc1ccc(C(=O)N2CCN(C)CC2)cc1NS(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of N-[2-methyl-5-(4-methylpiperazine-1-carbonyl)phenyl]naphthalene-2-sulfonamide?
The InChIKey is ZIQUIYMCJWQXQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3S/c1-17-7-8-20(23(27)26-13-11-25(2)12-14-26)16-22(17)24-30(28,29)21-10-9-18-5-3-4-6-19(18)15-21/h3-10,15-16,24H,11-14H2,1-2H3.
What are the key properties of N-[2-methyl-5-(4-methylpiperazine-1-carbonyl)phenyl]naphthalene-2-sulfonamide?
N-[2-methyl-5-(4-methylpiperazine-1-carbonyl)phenyl]naphthalene-2-sulfonamide has a molecular weight of 423.54 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-(4-methylpiperazine-1-carbonyl)phenyl]naphthalene-2-sulfonamide is sourced from PubChem (CID 10320106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).