N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]pyridine-3-sulfonamide

C19H26N4O2S — CID 55819973

IUPACN-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]pyridine-3-sulfonamide
SMILESCc1cccc(N2CCN(CCCNS(=O)(=O)c3cccnc3)CC2)c1
InChIInChI=1S/C19H26N4O2S/c1-17-5-2-6-18(15-17)23-13-11-22(12-14-23)10-4-9-21-26(24,25)19-7-3-8-20-16-19/h2-3,5-8,15-16,21H,4,9-14H2,1H3
InChIKeyWTBMEQWWFXTBAP-UHFFFAOYSA-N
MW374.51 g/mol
LogP1.88
Rot. Bonds7

About N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]pyridine-3-sulfonamide

N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]pyridine-3-sulfonamide (PubChem CID 55819973) has the molecular formula C19H26N4O2S and a molecular weight of 374.51 g/mol. Its IUPAC name is N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]pyridine-3-sulfonamide
PubChem CID55819973
Molecular FormulaC19H26N4O2S
Molecular Weight374.51 g/mol
Exact Mass374.18
IUPAC NameN-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]pyridine-3-sulfonamide
SMILESCc1cccc(N2CCN(CCCNS(=O)(=O)c3cccnc3)CC2)c1
InChIInChI=1S/C19H26N4O2S/c1-17-5-2-6-18(15-17)23-13-11-22(12-14-23)10-4-9-21-26(24,25)19-7-3-8-20-16-19/h2-3,5-8,15-16,21H,4,9-14H2,1H3
InChIKeyWTBMEQWWFXTBAP-UHFFFAOYSA-N
XLogP1.88
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]benzenesulfonamide
CID 34266845
3-methyl-N-[3-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide
CID 42389147
4-methoxy-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]benzenesulfonamide
CID 34266899
N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 34266967
4-methyl-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-3-nitrobenzenesulfonamide
CID 34267008
N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]propane-1-sulfonamide
CID 60580865
N-(3-piperazin-1-ylpropyl)pyridine-3-sulfonamide;dihydrochloride
CID 119994569
N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]pyrazine-2-carboxamide
CID 38440983
3-[(4-fluorophenyl)sulfonylamino]-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]propanamide
CID 55662298
4-methyl-N-[4-[4-(3-nitrophenyl)piperazin-1-yl]butyl]benzenesulfonamide;hydrochloride
CID 67014612
2-methoxy-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-4-nitrobenzenesulfonamide
CID 39657662
N-(3-pyrrolidin-1-ylphenyl)pyridine-3-sulfonamide
CID 75370822

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]pyridine-3-sulfonamide?
The IUPAC name of N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]pyridine-3-sulfonamide (CID 55819973) is N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]pyridine-3-sulfonamide.
What is the SMILES notation for N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]pyridine-3-sulfonamide?
The canonical SMILES for N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]pyridine-3-sulfonamide is Cc1cccc(N2CCN(CCCNS(=O)(=O)c3cccnc3)CC2)c1.
What is the InChIKey of N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]pyridine-3-sulfonamide?
The InChIKey is WTBMEQWWFXTBAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2S/c1-17-5-2-6-18(15-17)23-13-11-22(12-14-23)10-4-9-21-26(24,25)19-7-3-8-20-16-19/h2-3,5-8,15-16,21H,4,9-14H2,1H3.
What are the key properties of N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]pyridine-3-sulfonamide?
N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]pyridine-3-sulfonamide has a molecular weight of 374.51 g/mol, XLogP of 1.88, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]pyridine-3-sulfonamide is sourced from PubChem (CID 55819973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).