6-[4-(4-methoxyphenyl)piperazin-1-yl]-N,N-di(propan-2-yl)pyridine-3-sulfonamide

C22H32N4O3S — CID 3639258

IUPAC6-[4-(4-methoxyphenyl)piperazin-1-yl]-N,N-di(propan-2-yl)pyridine-3-sulfonamide
SMILESCOc1ccc(N2CCN(c3ccc(S(=O)(=O)N(C(C)C)C(C)C)cn3)CC2)cc1
InChIInChI=1S/C22H32N4O3S/c1-17(2)26(18(3)4)30(27,28)21-10-11-22(23-16-21)25-14-12-24(13-15-25)19-6-8-20(29-5)9-7-19/h6-11,16-18H,12-15H2,1-5H3
InChIKeyAGERKSJQVKOYHB-UHFFFAOYSA-N
MW432.59 g/mol
LogP3.22
Rot. Bonds7

About 6-[4-(4-methoxyphenyl)piperazin-1-yl]-N,N-di(propan-2-yl)pyridine-3-sulfonamide

6-[4-(4-methoxyphenyl)piperazin-1-yl]-N,N-di(propan-2-yl)pyridine-3-sulfonamide (PubChem CID 3639258) has the molecular formula C22H32N4O3S and a molecular weight of 432.59 g/mol. Its IUPAC name is 6-[4-(4-methoxyphenyl)piperazin-1-yl]-N,N-di(propan-2-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[4-(4-methoxyphenyl)piperazin-1-yl]-N,N-di(propan-2-yl)pyridine-3-sulfonamide
PubChem CID3639258
Molecular FormulaC22H32N4O3S
Molecular Weight432.59 g/mol
Exact Mass432.22
IUPAC Name6-[4-(4-methoxyphenyl)piperazin-1-yl]-N,N-di(propan-2-yl)pyridine-3-sulfonamide
SMILESCOc1ccc(N2CCN(c3ccc(S(=O)(=O)N(C(C)C)C(C)C)cn3)CC2)cc1
InChIInChI=1S/C22H32N4O3S/c1-17(2)26(18(3)4)30(27,28)21-10-11-22(23-16-21)25-14-12-24(13-15-25)19-6-8-20(29-5)9-7-19/h6-11,16-18H,12-15H2,1-5H3
InChIKeyAGERKSJQVKOYHB-UHFFFAOYSA-N
XLogP3.22
TPSA65.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.59
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-(2-((4-hydroxyphenyl)amino)-3-pyridinyl)-4-methoxybenzenesulfonamide
CID 3035714
N-[2-(4-hydroxyanilino)pyridin-3-yl]-4-methoxybenzenesulfonamide;hydrochloride
CID 11983308
2-[4-(4-Methoxyphenyl)-1-piperazinyl]pyrimidine
CID 198995
1-(4-Methoxyphenyl)sulfonyl-4-[3-(trifluoromethyl)pyridin-2-yl]piperazine
CID 1484980
N-methyl-N-(2-phenoxyethyl)-5-piperidin-1-ylsulfonylpyridin-2-amine
CID 4885397
N-(5-isopropylpyridin-2-yl)-N-(3-methylbutan-2-yl)-4-((tetrahydro-2H-pyran-4-yl)methoxy)benzenesulfonamide
CID 72194692
N-(2-methylpropyl)-4-(1-methylsulfonylpiperidin-4-yl)oxy-N-pyridin-2-ylbenzenesulfonamide
CID 118527019
4-Methoxy-N-pyridin-2-yl-benzenesulfonamide
CID 1087331
1-((2,5-Dimethoxyphenyl)sulfonyl)-4-(2-pyridyl)piperazine
CID 1091562
1-[(3,4-Dimethoxyphenyl)sulfonyl]-4-(2-pyridinyl)piperazine
CID 1091567
N-ethyl-6-(4-imidazol-1-ylphenoxy)-N-phenylpyridine-3-sulfonamide
CID 2998528
4-methoxy-N-(6-morpholino-3-pyridinyl)benzenesulfonamide
CID 3608807

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-methoxyphenyl)piperazin-1-yl]-N,N-di(propan-2-yl)pyridine-3-sulfonamide?
The IUPAC name of 6-[4-(4-methoxyphenyl)piperazin-1-yl]-N,N-di(propan-2-yl)pyridine-3-sulfonamide (CID 3639258) is 6-[4-(4-methoxyphenyl)piperazin-1-yl]-N,N-di(propan-2-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-[4-(4-methoxyphenyl)piperazin-1-yl]-N,N-di(propan-2-yl)pyridine-3-sulfonamide?
The canonical SMILES for 6-[4-(4-methoxyphenyl)piperazin-1-yl]-N,N-di(propan-2-yl)pyridine-3-sulfonamide is COc1ccc(N2CCN(c3ccc(S(=O)(=O)N(C(C)C)C(C)C)cn3)CC2)cc1.
What is the InChIKey of 6-[4-(4-methoxyphenyl)piperazin-1-yl]-N,N-di(propan-2-yl)pyridine-3-sulfonamide?
The InChIKey is AGERKSJQVKOYHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O3S/c1-17(2)26(18(3)4)30(27,28)21-10-11-22(23-16-21)25-14-12-24(13-15-25)19-6-8-20(29-5)9-7-19/h6-11,16-18H,12-15H2,1-5H3.
What are the key properties of 6-[4-(4-methoxyphenyl)piperazin-1-yl]-N,N-di(propan-2-yl)pyridine-3-sulfonamide?
6-[4-(4-methoxyphenyl)piperazin-1-yl]-N,N-di(propan-2-yl)pyridine-3-sulfonamide has a molecular weight of 432.59 g/mol, XLogP of 3.22, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-methoxyphenyl)piperazin-1-yl]-N,N-di(propan-2-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 3639258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).