N-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]naphthalene-2-sulfonamide

C23H25N3O3S — CID 9151786

IUPACN-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]naphthalene-2-sulfonamide
SMILESCc1ccccc1N1CCN(C(=O)CNS(=O)(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C23H25N3O3S/c1-18-6-2-5-9-22(18)25-12-14-26(15-13-25)23(27)17-24-30(28,29)21-11-10-19-7-3-4-8-20(19)16-21/h2-11,16,24H,12-15,17H2,1H3
InChIKeyQKNTYSWTDKKRQJ-UHFFFAOYSA-N
MW423.54 g/mol
LogP2.78
Rot. Bonds5

About N-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]naphthalene-2-sulfonamide

N-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]naphthalene-2-sulfonamide (PubChem CID 9151786) has the molecular formula C23H25N3O3S and a molecular weight of 423.54 g/mol. Its IUPAC name is N-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]naphthalene-2-sulfonamide
PubChem CID9151786
Molecular FormulaC23H25N3O3S
Molecular Weight423.54 g/mol
Exact Mass423.16
IUPAC NameN-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]naphthalene-2-sulfonamide
SMILESCc1ccccc1N1CCN(C(=O)CNS(=O)(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C23H25N3O3S/c1-18-6-2-5-9-22(18)25-12-14-26(15-13-25)23(27)17-24-30(28,29)21-11-10-19-7-3-4-8-20(19)16-21/h2-11,16,24H,12-15,17H2,1H3
InChIKeyQKNTYSWTDKKRQJ-UHFFFAOYSA-N
XLogP2.78
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dimethyl-N-[4-[4-(2-methylphenyl)piperazin-1-yl]-4-oxobutyl]benzenesulfonamide
CID 9152569
3-methyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 110371205
3,5-dimethoxy-N-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 18111092
N-methyl-2-[4-(2-naphthalen-2-ylacetyl)piperazin-1-yl]benzenesulfonamide
CID 75369355
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-4-fluoro-3-methylbenzenesulfonamide
CID 112991969
2-(cyclopropylmethylamino)-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone
CID 61254430
2-chloro-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone
CID 4741212
1-butylsulfonyl-N-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]formamide
CID 113097520
3-methoxy-N-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 9152898
4-chloro-3-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 112990867
3,4-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide
CID 110712399
2-(4-methoxyphenyl)-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone
CID 8910906

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]naphthalene-2-sulfonamide?
The IUPAC name of N-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]naphthalene-2-sulfonamide (CID 9151786) is N-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]naphthalene-2-sulfonamide?
The canonical SMILES for N-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]naphthalene-2-sulfonamide is Cc1ccccc1N1CCN(C(=O)CNS(=O)(=O)c2ccc3ccccc3c2)CC1.
What is the InChIKey of N-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]naphthalene-2-sulfonamide?
The InChIKey is QKNTYSWTDKKRQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3S/c1-18-6-2-5-9-22(18)25-12-14-26(15-13-25)23(27)17-24-30(28,29)21-11-10-19-7-3-4-8-20(19)16-21/h2-11,16,24H,12-15,17H2,1H3.
What are the key properties of N-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]naphthalene-2-sulfonamide?
N-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]naphthalene-2-sulfonamide has a molecular weight of 423.54 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]naphthalene-2-sulfonamide is sourced from PubChem (CID 9151786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).