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

C21H23Cl2N3O2S — CID 10204374

IUPACN-(4-chlorophenyl)-N-methyl-4-piperazin-1-ylnaphthalene-1-sulfonamide;hydrochloride
SMILESCN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(N2CCNCC2)c2ccccc12.Cl
InChIInChI=1S/C21H22ClN3O2S.ClH/c1-24(17-8-6-16(22)7-9-17)28(26,27)21-11-10-20(25-14-12-23-13-15-25)18-4-2-3-5-19(18)21;/h2-11,23H,12-15H2,1H3;1H
InChIKeyLSIGKBJNNAIWQN-UHFFFAOYSA-N
MW452.41 g/mol
LogP4.15
Rot. Bonds4

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

N-(4-chlorophenyl)-N-methyl-4-piperazin-1-ylnaphthalene-1-sulfonamide;hydrochloride (PubChem CID 10204374) has the molecular formula C21H23Cl2N3O2S and a molecular weight of 452.41 g/mol. Its IUPAC name is N-(4-chlorophenyl)-N-methyl-4-piperazin-1-ylnaphthalene-1-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(4-chlorophenyl)-N-methyl-4-piperazin-1-ylnaphthalene-1-sulfonamide;hydrochloride
PubChem CID10204374
Molecular FormulaC21H23Cl2N3O2S
Molecular Weight452.41 g/mol
Exact Mass451.09
IUPAC NameN-(4-chlorophenyl)-N-methyl-4-piperazin-1-ylnaphthalene-1-sulfonamide;hydrochloride
SMILESCN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(N2CCNCC2)c2ccccc12.Cl
InChIInChI=1S/C21H22ClN3O2S.ClH/c1-24(17-8-6-16(22)7-9-17)28(26,27)21-11-10-20(25-14-12-23-13-15-25)18-4-2-3-5-19(18)21;/h2-11,23H,12-15H2,1H3;1H
InChIKeyLSIGKBJNNAIWQN-UHFFFAOYSA-N
XLogP4.15
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.41
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-methylphenyl)-N-methyl-4-piperazin-1-ylnaphthalene-1-sulfonamide;hydrochloride
CID 10276694
N-(4-methoxyphenyl)-N-methyl-4-piperazin-1-ylnaphthalene-1-sulfonamide;hydrochloride
CID 10225702
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
2,4-dichloro-N-(4-piperazin-1-ylnaphthalen-1-yl)benzenesulfonamide
CID 10277045
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
4-(1,4-diazepan-1-yl)-N-(4-methylphenyl)naphthalene-1-sulfonamide
CID 10159893
4-chloro-N-[2-(dimethylamino)ethyl]-N-(2-piperazin-1-ylphenyl)benzenesulfonamide;hydrochloride
CID 70156577
N-naphthalen-2-yl-4-piperazin-1-ylnaphthalene-1-sulfonamide
CID 10226081
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

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-N-methyl-4-piperazin-1-ylnaphthalene-1-sulfonamide;hydrochloride?
The IUPAC name of N-(4-chlorophenyl)-N-methyl-4-piperazin-1-ylnaphthalene-1-sulfonamide;hydrochloride (CID 10204374) is N-(4-chlorophenyl)-N-methyl-4-piperazin-1-ylnaphthalene-1-sulfonamide;hydrochloride.
What is the SMILES notation for N-(4-chlorophenyl)-N-methyl-4-piperazin-1-ylnaphthalene-1-sulfonamide;hydrochloride?
The canonical SMILES for N-(4-chlorophenyl)-N-methyl-4-piperazin-1-ylnaphthalene-1-sulfonamide;hydrochloride is CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(N2CCNCC2)c2ccccc12.Cl.
What is the InChIKey of N-(4-chlorophenyl)-N-methyl-4-piperazin-1-ylnaphthalene-1-sulfonamide;hydrochloride?
The InChIKey is LSIGKBJNNAIWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O2S.ClH/c1-24(17-8-6-16(22)7-9-17)28(26,27)21-11-10-20(25-14-12-23-13-15-25)18-4-2-3-5-19(18)21;/h2-11,23H,12-15H2,1H3;1H.
What are the key properties of N-(4-chlorophenyl)-N-methyl-4-piperazin-1-ylnaphthalene-1-sulfonamide;hydrochloride?
N-(4-chlorophenyl)-N-methyl-4-piperazin-1-ylnaphthalene-1-sulfonamide;hydrochloride has a molecular weight of 452.41 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-N-methyl-4-piperazin-1-ylnaphthalene-1-sulfonamide;hydrochloride is sourced from PubChem (CID 10204374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).