N-propan-2-yl-4-(4-prop-2-enylpiperazin-1-yl)pyridine-3-sulfonamide

C15H24N4O2S — CID 902083

IUPACN-propan-2-yl-4-(4-prop-2-enylpiperazin-1-yl)pyridine-3-sulfonamide
SMILESC=CCN1CCN(c2ccncc2S(=O)(=O)NC(C)C)CC1
InChIInChI=1S/C15H24N4O2S/c1-4-7-18-8-10-19(11-9-18)14-5-6-16-12-15(14)22(20,21)17-13(2)3/h4-6,12-13,17H,1,7-11H2,2-3H3
InChIKeyBXCBFKAZEFTVFZ-UHFFFAOYSA-N
MW324.45 g/mol
LogP1.08
Rot. Bonds6

About N-propan-2-yl-4-(4-prop-2-enylpiperazin-1-yl)pyridine-3-sulfonamide

N-propan-2-yl-4-(4-prop-2-enylpiperazin-1-yl)pyridine-3-sulfonamide (PubChem CID 902083) has the molecular formula C15H24N4O2S and a molecular weight of 324.45 g/mol. Its IUPAC name is N-propan-2-yl-4-(4-prop-2-enylpiperazin-1-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-propan-2-yl-4-(4-prop-2-enylpiperazin-1-yl)pyridine-3-sulfonamide
PubChem CID902083
Molecular FormulaC15H24N4O2S
Molecular Weight324.45 g/mol
Exact Mass324.16
IUPAC NameN-propan-2-yl-4-(4-prop-2-enylpiperazin-1-yl)pyridine-3-sulfonamide
SMILESC=CCN1CCN(c2ccncc2S(=O)(=O)NC(C)C)CC1
InChIInChI=1S/C15H24N4O2S/c1-4-7-18-8-10-19(11-9-18)14-5-6-16-12-15(14)22(20,21)17-13(2)3/h4-6,12-13,17H,1,7-11H2,2-3H3
InChIKeyBXCBFKAZEFTVFZ-UHFFFAOYSA-N
XLogP1.08
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-3-Pyridylbenzenesulfonamide
CID 339079
N-(pyridin-4-yl)benzenesulfonamide
CID 669138
4-fluoro-N-pyridin-3-ylbenzenesulfonamide
CID 676049
4-amino-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 3663787
4-Hydrazinylpyridine-3-sulfonamide
CID 12554666
1-Methyl-4-[3-(1-piperidinylsulfonyl)-4-pyridinyl]piperazine
CID 902073
3-(Piperidin-1-ylsulphonyl)pyridine
CID 3623948
4-(Allylamino)-3-pyridinesulfonamide
CID 25044690
4-(5-Methyl-2-pirazolino)-3-pyridinesulfonamide
CID 46704077
4-(Methylhydrazino)-3-pyridinesulfonamide
CID 46704078
4-Ethyl-3,4-Dihydro-2h-Pyrido[3,2-E][1,2,4]thiadiazine 1,1-Dioxide
CID 10013456
4-Ethyl-3,4-dihydro-2H-pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide
CID 10608635

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-4-(4-prop-2-enylpiperazin-1-yl)pyridine-3-sulfonamide?
The IUPAC name of N-propan-2-yl-4-(4-prop-2-enylpiperazin-1-yl)pyridine-3-sulfonamide (CID 902083) is N-propan-2-yl-4-(4-prop-2-enylpiperazin-1-yl)pyridine-3-sulfonamide.
What is the SMILES notation for N-propan-2-yl-4-(4-prop-2-enylpiperazin-1-yl)pyridine-3-sulfonamide?
The canonical SMILES for N-propan-2-yl-4-(4-prop-2-enylpiperazin-1-yl)pyridine-3-sulfonamide is C=CCN1CCN(c2ccncc2S(=O)(=O)NC(C)C)CC1.
What is the InChIKey of N-propan-2-yl-4-(4-prop-2-enylpiperazin-1-yl)pyridine-3-sulfonamide?
The InChIKey is BXCBFKAZEFTVFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2S/c1-4-7-18-8-10-19(11-9-18)14-5-6-16-12-15(14)22(20,21)17-13(2)3/h4-6,12-13,17H,1,7-11H2,2-3H3.
What are the key properties of N-propan-2-yl-4-(4-prop-2-enylpiperazin-1-yl)pyridine-3-sulfonamide?
N-propan-2-yl-4-(4-prop-2-enylpiperazin-1-yl)pyridine-3-sulfonamide has a molecular weight of 324.45 g/mol, XLogP of 1.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-4-(4-prop-2-enylpiperazin-1-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 902083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).