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

C27H28N4O2S — CID 142704800

IUPACN-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]-N-pyridin-3-ylnaphthalene-2-sulfonamide
SMILESCN1CCN(c2cccc(CN(c3cccnc3)S(=O)(=O)c3ccc4ccccc4c3)c2)CC1
InChIInChI=1S/C27H28N4O2S/c1-29-14-16-30(17-15-29)25-9-4-6-22(18-25)21-31(26-10-5-13-28-20-26)34(32,33)27-12-11-23-7-2-3-8-24(23)19-27/h2-13,18-20H,14-17,21H2,1H3
InChIKeyFMBUHOUWPVHINZ-UHFFFAOYSA-N
MW472.61 g/mol
LogP4.38
Rot. Bonds6

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

N-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]-N-pyridin-3-ylnaphthalene-2-sulfonamide (PubChem CID 142704800) has the molecular formula C27H28N4O2S and a molecular weight of 472.61 g/mol. Its IUPAC name is N-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]-N-pyridin-3-ylnaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]-N-pyridin-3-ylnaphthalene-2-sulfonamide
PubChem CID142704800
Molecular FormulaC27H28N4O2S
Molecular Weight472.61 g/mol
Exact Mass472.19
IUPAC NameN-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]-N-pyridin-3-ylnaphthalene-2-sulfonamide
SMILESCN1CCN(c2cccc(CN(c3cccnc3)S(=O)(=O)c3ccc4ccccc4c3)c2)CC1
InChIInChI=1S/C27H28N4O2S/c1-29-14-16-30(17-15-29)25-9-4-6-22(18-25)21-31(26-10-5-13-28-20-26)34(32,33)27-12-11-23-7-2-3-8-24(23)19-27/h2-13,18-20H,14-17,21H2,1H3
InChIKeyFMBUHOUWPVHINZ-UHFFFAOYSA-N
XLogP4.38
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.61
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-4-methyl-N-(3-morpholin-4-ylphenyl)-2,3-dihydro-1,4-benzoxazine-7-sulfonamide
CID 46182272
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-pyridin-3-ylbenzenesulfonamide
CID 141169120
ethane;1-methyl-4-pyridin-3-ylpiperazine
CID 144911309
4-methoxy-N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 110360449
1-methyl-4-naphthalen-2-ylsulfonylpiperazine
CID 872090
N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 110360446
N-(3,4-dimethylphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 110360936
N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110360457
3-formyl-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]benzoic acid
CID 21310948
N-[(3-methoxyphenyl)methyl]-N-phenylbenzenesulfonamide
CID 57388637
N-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-4-nitroso-N-pyridin-3-ylbenzenesulfonamide
CID 163715259
N-benzyl-N-[3-(3-phenylpiperazin-1-yl)phenyl]benzenesulfonamide
CID 46182229

Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]-N-pyridin-3-ylnaphthalene-2-sulfonamide?
The IUPAC name of N-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]-N-pyridin-3-ylnaphthalene-2-sulfonamide (CID 142704800) is N-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]-N-pyridin-3-ylnaphthalene-2-sulfonamide.
What is the SMILES notation for N-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]-N-pyridin-3-ylnaphthalene-2-sulfonamide?
The canonical SMILES for N-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]-N-pyridin-3-ylnaphthalene-2-sulfonamide is CN1CCN(c2cccc(CN(c3cccnc3)S(=O)(=O)c3ccc4ccccc4c3)c2)CC1.
What is the InChIKey of N-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]-N-pyridin-3-ylnaphthalene-2-sulfonamide?
The InChIKey is FMBUHOUWPVHINZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O2S/c1-29-14-16-30(17-15-29)25-9-4-6-22(18-25)21-31(26-10-5-13-28-20-26)34(32,33)27-12-11-23-7-2-3-8-24(23)19-27/h2-13,18-20H,14-17,21H2,1H3.
What are the key properties of N-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]-N-pyridin-3-ylnaphthalene-2-sulfonamide?
N-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]-N-pyridin-3-ylnaphthalene-2-sulfonamide has a molecular weight of 472.61 g/mol, XLogP of 4.38, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]-N-pyridin-3-ylnaphthalene-2-sulfonamide is sourced from PubChem (CID 142704800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).