N-(3-chloro-4-methylphenyl)-N-methyl-4-piperazin-1-ylnaphthalene-1-sulfonamide;hydrochloride

C22H25Cl2N3O2S — CID 10276694

IUPACN-(3-chloro-4-methylphenyl)-N-methyl-4-piperazin-1-ylnaphthalene-1-sulfonamide;hydrochloride
SMILESCc1ccc(N(C)S(=O)(=O)c2ccc(N3CCNCC3)c3ccccc23)cc1Cl.Cl
InChIInChI=1S/C22H24ClN3O2S.ClH/c1-16-7-8-17(15-20(16)23)25(2)29(27,28)22-10-9-21(26-13-11-24-12-14-26)18-5-3-4-6-19(18)22;/h3-10,15,24H,11-14H2,1-2H3;1H
InChIKeyLYOZRBWHQVQDIF-UHFFFAOYSA-N
MW466.43 g/mol
LogP4.46
Rot. Bonds4

About N-(3-chloro-4-methylphenyl)-N-methyl-4-piperazin-1-ylnaphthalene-1-sulfonamide;hydrochloride

N-(3-chloro-4-methylphenyl)-N-methyl-4-piperazin-1-ylnaphthalene-1-sulfonamide;hydrochloride (PubChem CID 10276694) has the molecular formula C22H25Cl2N3O2S and a molecular weight of 466.43 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-N-methyl-4-piperazin-1-ylnaphthalene-1-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-N-methyl-4-piperazin-1-ylnaphthalene-1-sulfonamide;hydrochloride
PubChem CID10276694
Molecular FormulaC22H25Cl2N3O2S
Molecular Weight466.43 g/mol
Exact Mass465.10
IUPAC NameN-(3-chloro-4-methylphenyl)-N-methyl-4-piperazin-1-ylnaphthalene-1-sulfonamide;hydrochloride
SMILESCc1ccc(N(C)S(=O)(=O)c2ccc(N3CCNCC3)c3ccccc23)cc1Cl.Cl
InChIInChI=1S/C22H24ClN3O2S.ClH/c1-16-7-8-17(15-20(16)23)25(2)29(27,28)22-10-9-21(26-13-11-24-12-14-26)18-5-3-4-6-19(18)22;/h3-10,15,24H,11-14H2,1-2H3;1H
InChIKeyLYOZRBWHQVQDIF-UHFFFAOYSA-N
XLogP4.46
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.43
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-N-methyl-4-piperazin-1-ylnaphthalene-1-sulfonamide;hydrochloride
CID 10204374
N-(3-chloro-2-methylphenyl)-N-methyl-4-piperazin-1-ylnaphthalene-1-sulfonamide
CID 10205203
N-(4-methoxyphenyl)-N-methyl-4-piperazin-1-ylnaphthalene-1-sulfonamide;hydrochloride
CID 10225702
N-(5-fluoro-2-methylphenyl)-N-methyl-4-piperazin-1-ylnaphthalene-1-sulfonamide
CID 10182370
2,4-dichloro-6-methyl-3-(4-piperazin-1-ylnaphthalen-1-yl)benzenesulfonamide
CID 142776795
2,4-dichloro-N-(4-piperazin-1-ylnaphthalen-1-yl)benzenesulfonamide
CID 10277045
4-(1,4-diazepan-1-yl)-N-(4-methylphenyl)naphthalene-1-sulfonamide
CID 10159893
2,5-dichloro-N-(4-piperazin-1-ylnaphthalen-1-yl)benzenesulfonamide;hydrochloride
CID 10116267
3-amino-4-(1,4-diazepan-1-yl)-N-methyl-N-phenylbenzenesulfonamide;hydrochloride
CID 10157618
N-naphthalen-2-yl-4-piperazin-1-ylnaphthalene-1-sulfonamide
CID 10226081
N-(3-chloro-4-methylphenyl)-N,2-dimethyl-5-nitrobenzenesulfonamide
CID 100538866
1-(2-chlorophenyl)piperazine;dihydrochloride
CID 3018683

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-N-methyl-4-piperazin-1-ylnaphthalene-1-sulfonamide;hydrochloride?
The IUPAC name of N-(3-chloro-4-methylphenyl)-N-methyl-4-piperazin-1-ylnaphthalene-1-sulfonamide;hydrochloride (CID 10276694) is N-(3-chloro-4-methylphenyl)-N-methyl-4-piperazin-1-ylnaphthalene-1-sulfonamide;hydrochloride.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-N-methyl-4-piperazin-1-ylnaphthalene-1-sulfonamide;hydrochloride?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-N-methyl-4-piperazin-1-ylnaphthalene-1-sulfonamide;hydrochloride is Cc1ccc(N(C)S(=O)(=O)c2ccc(N3CCNCC3)c3ccccc23)cc1Cl.Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-N-methyl-4-piperazin-1-ylnaphthalene-1-sulfonamide;hydrochloride?
The InChIKey is LYOZRBWHQVQDIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O2S.ClH/c1-16-7-8-17(15-20(16)23)25(2)29(27,28)22-10-9-21(26-13-11-24-12-14-26)18-5-3-4-6-19(18)22;/h3-10,15,24H,11-14H2,1-2H3;1H.
What are the key properties of N-(3-chloro-4-methylphenyl)-N-methyl-4-piperazin-1-ylnaphthalene-1-sulfonamide;hydrochloride?
N-(3-chloro-4-methylphenyl)-N-methyl-4-piperazin-1-ylnaphthalene-1-sulfonamide;hydrochloride has a molecular weight of 466.43 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-N-methyl-4-piperazin-1-ylnaphthalene-1-sulfonamide;hydrochloride is sourced from PubChem (CID 10276694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).