methane;phenyl carbonochloridate;6-piperidin-1-ylpyridine-3-sulfonamide;N-[(6-piperidin-1-yl-3-pyridinyl)sulfonyl]acetamide

C30H41ClN6O7S2 — CID 158004590

IUPACmethane;phenyl carbonochloridate;6-piperidin-1-ylpyridine-3-sulfonamide;N-[(6-piperidin-1-yl-3-pyridinyl)sulfonyl]acetamide
SMILESC.CC(=O)NS(=O)(=O)c1ccc(N2CCCCC2)nc1.NS(=O)(=O)c1ccc(N2CCCCC2)nc1.O=C(Cl)Oc1ccccc1
InChIInChI=1S/C12H17N3O3S.C10H15N3O2S.C7H5ClO2.CH4/c1-10(16)14-19(17,18)11-5-6-12(13-9-11)15-7-3-2-4-8-15;11-16(14,15)9-4-5-10(12-8-9)13-6-2-1-3-7-13;8-7(9)10-6-4-2-1-3-5-6;/h5-6,9H,2-4,7-8H2,1H3,(H,14,16);4-5,8H,1-3,6-7H2,(H2,11,14,15);1-5H;1H4
InChIKeyFEDCBZDWTXDJBJ-UHFFFAOYSA-N
MW697.28 g/mol
LogP4.68
Rot. Bonds6

About methane;phenyl carbonochloridate;6-piperidin-1-ylpyridine-3-sulfonamide;N-[(6-piperidin-1-yl-3-pyridinyl)sulfonyl]acetamide

methane;phenyl carbonochloridate;6-piperidin-1-ylpyridine-3-sulfonamide;N-[(6-piperidin-1-yl-3-pyridinyl)sulfonyl]acetamide (PubChem CID 158004590) has the molecular formula C30H41ClN6O7S2 and a molecular weight of 697.28 g/mol. Its IUPAC name is methane;phenyl carbonochloridate;6-piperidin-1-ylpyridine-3-sulfonamide;N-[(6-piperidin-1-yl-3-pyridinyl)sulfonyl]acetamide.

Molecular Properties

Compound Namemethane;phenyl carbonochloridate;6-piperidin-1-ylpyridine-3-sulfonamide;N-[(6-piperidin-1-yl-3-pyridinyl)sulfonyl]acetamide
PubChem CID158004590
Molecular FormulaC30H41ClN6O7S2
Molecular Weight697.28 g/mol
Exact Mass696.22
IUPAC Namemethane;phenyl carbonochloridate;6-piperidin-1-ylpyridine-3-sulfonamide;N-[(6-piperidin-1-yl-3-pyridinyl)sulfonyl]acetamide
SMILESC.CC(=O)NS(=O)(=O)c1ccc(N2CCCCC2)nc1.NS(=O)(=O)c1ccc(N2CCCCC2)nc1.O=C(Cl)Oc1ccccc1
InChIInChI=1S/C12H17N3O3S.C10H15N3O2S.C7H5ClO2.CH4/c1-10(16)14-19(17,18)11-5-6-12(13-9-11)15-7-3-2-4-8-15;11-16(14,15)9-4-5-10(12-8-9)13-6-2-1-3-7-13;8-7(9)10-6-4-2-1-3-5-6;/h5-6,9H,2-4,7-8H2,1H3,(H,14,16);4-5,8H,1-3,6-7H2,(H2,11,14,15);1-5H;1H4
InChIKeyFEDCBZDWTXDJBJ-UHFFFAOYSA-N
XLogP4.68
TPSA181.96 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500697.28
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze methane;phenyl carbonochloridate;6-piperidin-1-ylpyridine-3-sulfonamide;N-[(6-piperidin-1-yl-3-pyridinyl)sulfonyl]acetamide with MolForge

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Launch Full Analysis

Related Compounds

6-pyrrolidin-1-ylpyridine-3-sulfonamide
CID 9115059
N-[4-[[6-(azepan-1-yl)-3-pyridinyl]sulfamoyl]phenyl]acetamide
CID 113015969
N-(6-piperidin-1-yl-3-pyridinyl)-4-sulfamoylbenzamide
CID 55502246
N-[[6-(azepan-1-yl)-3-pyridinyl]sulfonyl]-4-chloro-2-(trifluoromethyl)benzamide
CID 24998166
2,4-dichloro-N-[[6-(4-phenylpiperazin-1-yl)-3-pyridinyl]sulfonyl]benzamide
CID 24956235
3-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]benzene-1,3-disulfonamide
CID 55913757
N-[4-[(6-pyrrolidin-1-yl-3-pyridinyl)methylsulfamoyl]phenyl]acetamide
CID 35388894
(6-piperidin-1-yl-3-pyridinyl)sulfonylmethanol
CID 58327638
1-[4-(5-piperidin-1-ylsulfonyl-2-pyridinyl)piperazin-1-yl]ethanone
CID 3000054
6-[4-(2,2-dimethylpropanoyl)-1,4-diazepan-1-yl]-N-methylpyridine-3-sulfonamide
CID 133355008
6-piperidin-1-ylpyridine-3-carboxylic acid
CID 2794761
5-methyl-1-(5-sulfamoyl-2-pyridinyl)pyrazole-3-carboxylic acid
CID 52982933

Frequently Asked Questions

What is the IUPAC name of methane;phenyl carbonochloridate;6-piperidin-1-ylpyridine-3-sulfonamide;N-[(6-piperidin-1-yl-3-pyridinyl)sulfonyl]acetamide?
The IUPAC name of methane;phenyl carbonochloridate;6-piperidin-1-ylpyridine-3-sulfonamide;N-[(6-piperidin-1-yl-3-pyridinyl)sulfonyl]acetamide (CID 158004590) is methane;phenyl carbonochloridate;6-piperidin-1-ylpyridine-3-sulfonamide;N-[(6-piperidin-1-yl-3-pyridinyl)sulfonyl]acetamide.
What is the SMILES notation for methane;phenyl carbonochloridate;6-piperidin-1-ylpyridine-3-sulfonamide;N-[(6-piperidin-1-yl-3-pyridinyl)sulfonyl]acetamide?
The canonical SMILES for methane;phenyl carbonochloridate;6-piperidin-1-ylpyridine-3-sulfonamide;N-[(6-piperidin-1-yl-3-pyridinyl)sulfonyl]acetamide is C.CC(=O)NS(=O)(=O)c1ccc(N2CCCCC2)nc1.NS(=O)(=O)c1ccc(N2CCCCC2)nc1.O=C(Cl)Oc1ccccc1.
What is the InChIKey of methane;phenyl carbonochloridate;6-piperidin-1-ylpyridine-3-sulfonamide;N-[(6-piperidin-1-yl-3-pyridinyl)sulfonyl]acetamide?
The InChIKey is FEDCBZDWTXDJBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S.C10H15N3O2S.C7H5ClO2.CH4/c1-10(16)14-19(17,18)11-5-6-12(13-9-11)15-7-3-2-4-8-15;11-16(14,15)9-4-5-10(12-8-9)13-6-2-1-3-7-13;8-7(9)10-6-4-2-1-3-5-6;/h5-6,9H,2-4,7-8H2,1H3,(H,14,16);4-5,8H,1-3,6-7H2,(H2,11,14,15);1-5H;1H4.
What are the key properties of methane;phenyl carbonochloridate;6-piperidin-1-ylpyridine-3-sulfonamide;N-[(6-piperidin-1-yl-3-pyridinyl)sulfonyl]acetamide?
methane;phenyl carbonochloridate;6-piperidin-1-ylpyridine-3-sulfonamide;N-[(6-piperidin-1-yl-3-pyridinyl)sulfonyl]acetamide has a molecular weight of 697.28 g/mol, XLogP of 4.68, 6 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for methane;phenyl carbonochloridate;6-piperidin-1-ylpyridine-3-sulfonamide;N-[(6-piperidin-1-yl-3-pyridinyl)sulfonyl]acetamide is sourced from PubChem (CID 158004590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).