N-(3-chloro-2-methylphenyl)-N-methyl-4-piperazin-1-ylnaphthalene-1-sulfonamide

C22H24ClN3O2S — CID 10205203

IUPACN-(3-chloro-2-methylphenyl)-N-methyl-4-piperazin-1-ylnaphthalene-1-sulfonamide
SMILESCc1c(Cl)cccc1N(C)S(=O)(=O)c1ccc(N2CCNCC2)c2ccccc12
InChIInChI=1S/C22H24ClN3O2S/c1-16-19(23)8-5-9-20(16)25(2)29(27,28)22-11-10-21(26-14-12-24-13-15-26)17-6-3-4-7-18(17)22/h3-11,24H,12-15H2,1-2H3
InChIKeyLYAMMERMYCKKKA-UHFFFAOYSA-N
MW429.97 g/mol
LogP4.04
Rot. Bonds4

About N-(3-chloro-2-methylphenyl)-N-methyl-4-piperazin-1-ylnaphthalene-1-sulfonamide

N-(3-chloro-2-methylphenyl)-N-methyl-4-piperazin-1-ylnaphthalene-1-sulfonamide (PubChem CID 10205203) has the molecular formula C22H24ClN3O2S and a molecular weight of 429.97 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-N-methyl-4-piperazin-1-ylnaphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-N-methyl-4-piperazin-1-ylnaphthalene-1-sulfonamide
PubChem CID10205203
Molecular FormulaC22H24ClN3O2S
Molecular Weight429.97 g/mol
Exact Mass429.13
IUPAC NameN-(3-chloro-2-methylphenyl)-N-methyl-4-piperazin-1-ylnaphthalene-1-sulfonamide
SMILESCc1c(Cl)cccc1N(C)S(=O)(=O)c1ccc(N2CCNCC2)c2ccccc12
InChIInChI=1S/C22H24ClN3O2S/c1-16-19(23)8-5-9-20(16)25(2)29(27,28)22-11-10-21(26-14-12-24-13-15-26)17-6-3-4-7-18(17)22/h3-11,24H,12-15H2,1-2H3
InChIKeyLYAMMERMYCKKKA-UHFFFAOYSA-N
XLogP4.04
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.97
LogP ≤ 54.04
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-chlorophenyl)-N-methyl-4-piperazin-1-ylnaphthalene-1-sulfonamide;hydrochloride
CID 10204374
N-(5-fluoro-2-methylphenyl)-N-methyl-4-piperazin-1-ylnaphthalene-1-sulfonamide
CID 10182370
N-(4-methoxyphenyl)-N-methyl-4-piperazin-1-ylnaphthalene-1-sulfonamide;hydrochloride
CID 10225702
4-(1,4-diazepan-1-yl)-N-(4-methylphenyl)naphthalene-1-sulfonamide
CID 10159893
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
1-(2-chlorophenyl)piperazine
CID 162116490
2-(4-piperazin-1-ylnaphthalen-1-yl)sulfonyl-1,2,3,4-tetrahydroquinoline
CID 67552359
1-(2-chlorophenyl)piperazine;dihydrochloride
CID 3018683
5-(1,4-diazepan-1-ylsulfonyl)-N,N-dimethylnaphthalen-1-amine
CID 14098042
2,5-dichloro-N-(4-piperazin-1-ylnaphthalen-1-yl)benzenesulfonamide;hydrochloride
CID 10116267

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-N-methyl-4-piperazin-1-ylnaphthalene-1-sulfonamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-N-methyl-4-piperazin-1-ylnaphthalene-1-sulfonamide (CID 10205203) is N-(3-chloro-2-methylphenyl)-N-methyl-4-piperazin-1-ylnaphthalene-1-sulfonamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-N-methyl-4-piperazin-1-ylnaphthalene-1-sulfonamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-N-methyl-4-piperazin-1-ylnaphthalene-1-sulfonamide is Cc1c(Cl)cccc1N(C)S(=O)(=O)c1ccc(N2CCNCC2)c2ccccc12.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-N-methyl-4-piperazin-1-ylnaphthalene-1-sulfonamide?
The InChIKey is LYAMMERMYCKKKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O2S/c1-16-19(23)8-5-9-20(16)25(2)29(27,28)22-11-10-21(26-14-12-24-13-15-26)17-6-3-4-7-18(17)22/h3-11,24H,12-15H2,1-2H3.
What are the key properties of N-(3-chloro-2-methylphenyl)-N-methyl-4-piperazin-1-ylnaphthalene-1-sulfonamide?
N-(3-chloro-2-methylphenyl)-N-methyl-4-piperazin-1-ylnaphthalene-1-sulfonamide has a molecular weight of 429.97 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-N-methyl-4-piperazin-1-ylnaphthalene-1-sulfonamide is sourced from PubChem (CID 10205203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).