N-[3-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-naphthalen-2-ylsulfonylacetamide

C23H24ClN3O3S — CID 3603018

IUPACN-[3-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-naphthalen-2-ylsulfonylacetamide
SMILESCN1CCN(c2c(Cl)cccc2NC(=O)CS(=O)(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C23H24ClN3O3S/c1-26-11-13-27(14-12-26)23-20(24)7-4-8-21(23)25-22(28)16-31(29,30)19-10-9-17-5-2-3-6-18(17)15-19/h2-10,15H,11-14,16H2,1H3,(H,25,28)
InChIKeyNWHSTKVSDLSMJI-UHFFFAOYSA-N
MW457.98 g/mol
LogP3.66
Rot. Bonds5

About N-[3-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-naphthalen-2-ylsulfonylacetamide

N-[3-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-naphthalen-2-ylsulfonylacetamide (PubChem CID 3603018) has the molecular formula C23H24ClN3O3S and a molecular weight of 457.98 g/mol. Its IUPAC name is N-[3-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-naphthalen-2-ylsulfonylacetamide.

Molecular Properties

Compound NameN-[3-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-naphthalen-2-ylsulfonylacetamide
PubChem CID3603018
Molecular FormulaC23H24ClN3O3S
Molecular Weight457.98 g/mol
Exact Mass457.12
IUPAC NameN-[3-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-naphthalen-2-ylsulfonylacetamide
SMILESCN1CCN(c2c(Cl)cccc2NC(=O)CS(=O)(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C23H24ClN3O3S/c1-26-11-13-27(14-12-26)23-20(24)7-4-8-21(23)25-22(28)16-31(29,30)19-10-9-17-5-2-3-6-18(17)15-19/h2-10,15H,11-14,16H2,1H3,(H,25,28)
InChIKeyNWHSTKVSDLSMJI-UHFFFAOYSA-N
XLogP3.66
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.98
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dimethylphenyl)-2-naphthalen-2-ylsulfonylacetamide
CID 3892636
N-(3-chloro-2-pyrrolidin-1-ylphenyl)propanamide
CID 4308425
N-(3-chloro-2-piperidin-1-ylphenyl)propanamide
CID 4297017
N-(3-chloro-2-pyrrolidin-1-ylphenyl)-2-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 3654794
N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-2-(4-methoxyphenoxy)acetamide
CID 17177111
N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-naphthalen-1-yloxyacetamide
CID 2963756
N-[3-chloro-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]phenyl]-2-(4-chlorophenyl)acetamide
CID 17092364
N-(4-tert-butylphenyl)-2-naphthalen-2-ylsulfonylacetamide
CID 4046357
N-[4-(dimethylamino)phenyl]-2-naphthalen-2-ylsulfonylacetamide
CID 3938895
N-(3-fluorophenyl)-2-naphthalen-2-ylsulfonylacetamide
CID 3925269
N-[3-chloro-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]phenyl]-3-methoxynaphthalene-2-carboxamide
CID 17092370
2-(4-tert-butylphenoxy)-N-[3-chloro-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]phenyl]acetamide
CID 17091582

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-naphthalen-2-ylsulfonylacetamide?
The IUPAC name of N-[3-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-naphthalen-2-ylsulfonylacetamide (CID 3603018) is N-[3-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-naphthalen-2-ylsulfonylacetamide.
What is the SMILES notation for N-[3-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-naphthalen-2-ylsulfonylacetamide?
The canonical SMILES for N-[3-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-naphthalen-2-ylsulfonylacetamide is CN1CCN(c2c(Cl)cccc2NC(=O)CS(=O)(=O)c2ccc3ccccc3c2)CC1.
What is the InChIKey of N-[3-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-naphthalen-2-ylsulfonylacetamide?
The InChIKey is NWHSTKVSDLSMJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O3S/c1-26-11-13-27(14-12-26)23-20(24)7-4-8-21(23)25-22(28)16-31(29,30)19-10-9-17-5-2-3-6-18(17)15-19/h2-10,15H,11-14,16H2,1H3,(H,25,28).
What are the key properties of N-[3-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-naphthalen-2-ylsulfonylacetamide?
N-[3-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-naphthalen-2-ylsulfonylacetamide has a molecular weight of 457.98 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-naphthalen-2-ylsulfonylacetamide is sourced from PubChem (CID 3603018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).