4-methyl-N'-(5-piperidin-1-ylsulfonyl-2-pyridinyl)benzenesulfonohydrazide

C17H22N4O4S2 — CID 31580125

IUPAC4-methyl-N'-(5-piperidin-1-ylsulfonyl-2-pyridinyl)benzenesulfonohydrazide
SMILESCc1ccc(S(=O)(=O)NNc2ccc(S(=O)(=O)N3CCCCC3)cn2)cc1
InChIInChI=1S/C17H22N4O4S2/c1-14-5-7-15(8-6-14)26(22,23)20-19-17-10-9-16(13-18-17)27(24,25)21-11-3-2-4-12-21/h5-10,13,20H,2-4,11-12H2,1H3,(H,18,19)
InChIKeySCUOAENGZJVTCZ-UHFFFAOYSA-N
MW410.52 g/mol
LogP1.87
Rot. Bonds6

About 4-methyl-N'-(5-piperidin-1-ylsulfonyl-2-pyridinyl)benzenesulfonohydrazide

4-methyl-N'-(5-piperidin-1-ylsulfonyl-2-pyridinyl)benzenesulfonohydrazide (PubChem CID 31580125) has the molecular formula C17H22N4O4S2 and a molecular weight of 410.52 g/mol. Its IUPAC name is 4-methyl-N'-(5-piperidin-1-ylsulfonyl-2-pyridinyl)benzenesulfonohydrazide.

Molecular Properties

Compound Name4-methyl-N'-(5-piperidin-1-ylsulfonyl-2-pyridinyl)benzenesulfonohydrazide
PubChem CID31580125
Molecular FormulaC17H22N4O4S2
Molecular Weight410.52 g/mol
Exact Mass410.11
IUPAC Name4-methyl-N'-(5-piperidin-1-ylsulfonyl-2-pyridinyl)benzenesulfonohydrazide
SMILESCc1ccc(S(=O)(=O)NNc2ccc(S(=O)(=O)N3CCCCC3)cn2)cc1
InChIInChI=1S/C17H22N4O4S2/c1-14-5-7-15(8-6-14)26(22,23)20-19-17-10-9-16(13-18-17)27(24,25)21-11-3-2-4-12-21/h5-10,13,20H,2-4,11-12H2,1H3,(H,18,19)
InChIKeySCUOAENGZJVTCZ-UHFFFAOYSA-N
XLogP1.87
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(5-piperidin-1-ylsulfonyl-2-pyridinyl)benzenesulfonohydrazide
CID 31580113
4-fluoro-N'-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)benzenesulfonohydrazide
CID 39338201
1-phenyl-2-(5-piperidin-1-ylsulfonyl-2-pyridinyl)hydrazine
CID 5267961
N-propan-2-yl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 5268153
1-(4-methylphenyl)sulfonyl-azacycloundecane
CID 12715310
5-piperidin-1-ylsulfonyl-N-prop-2-ynylpyridin-2-amine
CID 9251897
1-[4-(4-methylphenyl)phenyl]sulfonylazepane
CID 852205
N-cyclopent-3-en-1-yl-5-piperidin-1-ylsulfonylpyridin-2-amine
CID 133362074
N-(4-methylphenyl)-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 5268105
N-butyl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 5268149
1-(4-methylphenyl)sulfonyl-4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)-1,4-diazepane
CID 16567822
N-(2,6-dimethylphenyl)-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]acetamide
CID 9195727

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N'-(5-piperidin-1-ylsulfonyl-2-pyridinyl)benzenesulfonohydrazide?
The IUPAC name of 4-methyl-N'-(5-piperidin-1-ylsulfonyl-2-pyridinyl)benzenesulfonohydrazide (CID 31580125) is 4-methyl-N'-(5-piperidin-1-ylsulfonyl-2-pyridinyl)benzenesulfonohydrazide.
What is the SMILES notation for 4-methyl-N'-(5-piperidin-1-ylsulfonyl-2-pyridinyl)benzenesulfonohydrazide?
The canonical SMILES for 4-methyl-N'-(5-piperidin-1-ylsulfonyl-2-pyridinyl)benzenesulfonohydrazide is Cc1ccc(S(=O)(=O)NNc2ccc(S(=O)(=O)N3CCCCC3)cn2)cc1.
What is the InChIKey of 4-methyl-N'-(5-piperidin-1-ylsulfonyl-2-pyridinyl)benzenesulfonohydrazide?
The InChIKey is SCUOAENGZJVTCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O4S2/c1-14-5-7-15(8-6-14)26(22,23)20-19-17-10-9-16(13-18-17)27(24,25)21-11-3-2-4-12-21/h5-10,13,20H,2-4,11-12H2,1H3,(H,18,19).
What are the key properties of 4-methyl-N'-(5-piperidin-1-ylsulfonyl-2-pyridinyl)benzenesulfonohydrazide?
4-methyl-N'-(5-piperidin-1-ylsulfonyl-2-pyridinyl)benzenesulfonohydrazide has a molecular weight of 410.52 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N'-(5-piperidin-1-ylsulfonyl-2-pyridinyl)benzenesulfonohydrazide is sourced from PubChem (CID 31580125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).