N-[3-(4-methylpiperazin-1-yl)phenyl]-N-propan-2-ylnaphthalene-2-sulfonamide

C24H29N3O2S — CID 46934428

IUPACN-[3-(4-methylpiperazin-1-yl)phenyl]-N-propan-2-ylnaphthalene-2-sulfonamide
SMILESCC(C)N(c1cccc(N2CCN(C)CC2)c1)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C24H29N3O2S/c1-19(2)27(23-10-6-9-22(18-23)26-15-13-25(3)14-16-26)30(28,29)24-12-11-20-7-4-5-8-21(20)17-24/h4-12,17-19H,13-16H2,1-3H3
InChIKeyZHKSBEBKWSIVCL-UHFFFAOYSA-N
MW423.58 g/mol
LogP4.20
Rot. Bonds5

About N-[3-(4-methylpiperazin-1-yl)phenyl]-N-propan-2-ylnaphthalene-2-sulfonamide

N-[3-(4-methylpiperazin-1-yl)phenyl]-N-propan-2-ylnaphthalene-2-sulfonamide (PubChem CID 46934428) has the molecular formula C24H29N3O2S and a molecular weight of 423.58 g/mol. Its IUPAC name is N-[3-(4-methylpiperazin-1-yl)phenyl]-N-propan-2-ylnaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[3-(4-methylpiperazin-1-yl)phenyl]-N-propan-2-ylnaphthalene-2-sulfonamide
PubChem CID46934428
Molecular FormulaC24H29N3O2S
Molecular Weight423.58 g/mol
Exact Mass423.20
IUPAC NameN-[3-(4-methylpiperazin-1-yl)phenyl]-N-propan-2-ylnaphthalene-2-sulfonamide
SMILESCC(C)N(c1cccc(N2CCN(C)CC2)c1)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C24H29N3O2S/c1-19(2)27(23-10-6-9-22(18-23)26-15-13-25(3)14-16-26)30(28,29)24-12-11-20-7-4-5-8-21(20)17-24/h4-12,17-19H,13-16H2,1-3H3
InChIKeyZHKSBEBKWSIVCL-UHFFFAOYSA-N
XLogP4.20
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.58
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,5,9-Triazacyclododecane, 9-(cyclohexylmethyl)-1-[[5-(dimethylamino)-1-naphthalenyl]sulfonyl]-3-methylene-5-[(4-methylphenyl)sulfonyl]-
CID 11498413
N-(Cyclohexylmethyl)-N-(3-(4-phenylpiperazin-1-yl)propyl)naphthalene-2-sulfonamide
CID 46232622
N-(Cyclohexylmethyl)-N-(3-(4-(4-fluorophenyl)piperazin-1-yl)propyl)naphthalene-2-sulfonamide
CID 46232653
ST50831294
CID 777204
1-[(3,4-Dimethylphenyl)sulfonyl]-4-phenylpiperazine
CID 786037
4-(2-Methylphenyl)-1-(2-naphthylsulfonyl)piperazine
CID 6468408
2-[3-(4-Phenyl-1-piperazinyl)propyl]naphtho[1,8-cd]isothiazole 1,1-dioxide
CID 14580032
2-{3-[4-(4-Methylphenyl)-1-piperazinyl]propyl}naphtho[1,8-cd]isothiazole 1,1-dioxide
CID 15710731
Naphthalene-2-sulfonic acid [3-(4-methylpiperazin-1-yl)phenyl]amide
CID 18180076
N-(3-(4-phenylpiperazin-1-yl)propyl)naphthalene-2-sulfonamide
CID 42389129
Naphthalene-2-sulfonic acid {3-[4-(3-trifluoromethylphenyl)-piperazin-1-yl]-propyl}-amide
CID 42635204
Naphthalene-2-sulfonic acid {3-[4-(4-trifluoromethylphenyl)-piperazin-1-yl]-propyl}-amide
CID 42635205

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methylpiperazin-1-yl)phenyl]-N-propan-2-ylnaphthalene-2-sulfonamide?
The IUPAC name of N-[3-(4-methylpiperazin-1-yl)phenyl]-N-propan-2-ylnaphthalene-2-sulfonamide (CID 46934428) is N-[3-(4-methylpiperazin-1-yl)phenyl]-N-propan-2-ylnaphthalene-2-sulfonamide.
What is the SMILES notation for N-[3-(4-methylpiperazin-1-yl)phenyl]-N-propan-2-ylnaphthalene-2-sulfonamide?
The canonical SMILES for N-[3-(4-methylpiperazin-1-yl)phenyl]-N-propan-2-ylnaphthalene-2-sulfonamide is CC(C)N(c1cccc(N2CCN(C)CC2)c1)S(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of N-[3-(4-methylpiperazin-1-yl)phenyl]-N-propan-2-ylnaphthalene-2-sulfonamide?
The InChIKey is ZHKSBEBKWSIVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2S/c1-19(2)27(23-10-6-9-22(18-23)26-15-13-25(3)14-16-26)30(28,29)24-12-11-20-7-4-5-8-21(20)17-24/h4-12,17-19H,13-16H2,1-3H3.
What are the key properties of N-[3-(4-methylpiperazin-1-yl)phenyl]-N-propan-2-ylnaphthalene-2-sulfonamide?
N-[3-(4-methylpiperazin-1-yl)phenyl]-N-propan-2-ylnaphthalene-2-sulfonamide has a molecular weight of 423.58 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methylpiperazin-1-yl)phenyl]-N-propan-2-ylnaphthalene-2-sulfonamide is sourced from PubChem (CID 46934428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).