N-(4-methoxyphenyl)-N-methyl-4-piperazin-1-ylnaphthalene-1-sulfonamide;hydrochloride

C22H26ClN3O3S — CID 10225702

IUPACN-(4-methoxyphenyl)-N-methyl-4-piperazin-1-ylnaphthalene-1-sulfonamide;hydrochloride
SMILESCOc1ccc(N(C)S(=O)(=O)c2ccc(N3CCNCC3)c3ccccc23)cc1.Cl
InChIInChI=1S/C22H25N3O3S.ClH/c1-24(17-7-9-18(28-2)10-8-17)29(26,27)22-12-11-21(25-15-13-23-14-16-25)19-5-3-4-6-20(19)22;/h3-12,23H,13-16H2,1-2H3;1H
InChIKeyXFHTTYSFCNYWKE-UHFFFAOYSA-N
MW447.99 g/mol
LogP3.50
Rot. Bonds5

About N-(4-methoxyphenyl)-N-methyl-4-piperazin-1-ylnaphthalene-1-sulfonamide;hydrochloride

N-(4-methoxyphenyl)-N-methyl-4-piperazin-1-ylnaphthalene-1-sulfonamide;hydrochloride (PubChem CID 10225702) has the molecular formula C22H26ClN3O3S and a molecular weight of 447.99 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-N-methyl-4-piperazin-1-ylnaphthalene-1-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-N-methyl-4-piperazin-1-ylnaphthalene-1-sulfonamide;hydrochloride
PubChem CID10225702
Molecular FormulaC22H26ClN3O3S
Molecular Weight447.99 g/mol
Exact Mass447.14
IUPAC NameN-(4-methoxyphenyl)-N-methyl-4-piperazin-1-ylnaphthalene-1-sulfonamide;hydrochloride
SMILESCOc1ccc(N(C)S(=O)(=O)c2ccc(N3CCNCC3)c3ccccc23)cc1.Cl
InChIInChI=1S/C22H25N3O3S.ClH/c1-24(17-7-9-18(28-2)10-8-17)29(26,27)22-12-11-21(25-15-13-23-14-16-25)19-5-3-4-6-20(19)22;/h3-12,23H,13-16H2,1-2H3;1H
InChIKeyXFHTTYSFCNYWKE-UHFFFAOYSA-N
XLogP3.50
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.99
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chlorophenyl)-N-methyl-4-piperazin-1-ylnaphthalene-1-sulfonamide;hydrochloride
CID 10204374
N-(3-chloro-4-methylphenyl)-N-methyl-4-piperazin-1-ylnaphthalene-1-sulfonamide;hydrochloride
CID 10276694
N-(3-chloro-2-methylphenyl)-N-methyl-4-piperazin-1-ylnaphthalene-1-sulfonamide
CID 10205203
N-(5-fluoro-2-methylphenyl)-N-methyl-4-piperazin-1-ylnaphthalene-1-sulfonamide
CID 10182370
2-fluoro-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide
CID 60643138
N-naphthalen-2-yl-4-piperazin-1-ylnaphthalene-1-sulfonamide
CID 10226081
2-(4-methoxyphenyl)-6-piperazin-1-ylbenzo[de]isoquinoline-1,3-dione
CID 1367305
3-amino-4-(1,4-diazepan-1-yl)-N-methyl-N-phenylbenzenesulfonamide;hydrochloride
CID 10157618
4-(1,4-diazepan-1-yl)-N-(4-methylphenyl)naphthalene-1-sulfonamide
CID 10159893
2-(4-piperazin-1-ylnaphthalen-1-yl)sulfonyl-1,2,3,4-tetrahydroquinoline
CID 67552359
N-methyl-N-phenyl-2-(piperazine-1-carbonyl)benzenesulfonamide;hydrochloride
CID 119400127
N-(4-methoxyphenyl)-3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-N-methylbenzenesulfonamide
CID 2597934

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-N-methyl-4-piperazin-1-ylnaphthalene-1-sulfonamide;hydrochloride?
The IUPAC name of N-(4-methoxyphenyl)-N-methyl-4-piperazin-1-ylnaphthalene-1-sulfonamide;hydrochloride (CID 10225702) is N-(4-methoxyphenyl)-N-methyl-4-piperazin-1-ylnaphthalene-1-sulfonamide;hydrochloride.
What is the SMILES notation for N-(4-methoxyphenyl)-N-methyl-4-piperazin-1-ylnaphthalene-1-sulfonamide;hydrochloride?
The canonical SMILES for N-(4-methoxyphenyl)-N-methyl-4-piperazin-1-ylnaphthalene-1-sulfonamide;hydrochloride is COc1ccc(N(C)S(=O)(=O)c2ccc(N3CCNCC3)c3ccccc23)cc1.Cl.
What is the InChIKey of N-(4-methoxyphenyl)-N-methyl-4-piperazin-1-ylnaphthalene-1-sulfonamide;hydrochloride?
The InChIKey is XFHTTYSFCNYWKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3S.ClH/c1-24(17-7-9-18(28-2)10-8-17)29(26,27)22-12-11-21(25-15-13-23-14-16-25)19-5-3-4-6-20(19)22;/h3-12,23H,13-16H2,1-2H3;1H.
What are the key properties of N-(4-methoxyphenyl)-N-methyl-4-piperazin-1-ylnaphthalene-1-sulfonamide;hydrochloride?
N-(4-methoxyphenyl)-N-methyl-4-piperazin-1-ylnaphthalene-1-sulfonamide;hydrochloride has a molecular weight of 447.99 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-N-methyl-4-piperazin-1-ylnaphthalene-1-sulfonamide;hydrochloride is sourced from PubChem (CID 10225702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).