N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-3-methylpyrazolidine-4-sulfonamide

C13H18N6O2S — CID 134068444

IUPACN-[(2-imidazol-1-yl-4-pyridinyl)methyl]-3-methylpyrazolidine-4-sulfonamide
SMILESCC1NNCC1S(=O)(=O)NCc1ccnc(-n2ccnc2)c1
InChIInChI=1S/C13H18N6O2S/c1-10-12(8-16-18-10)22(20,21)17-7-11-2-3-15-13(6-11)19-5-4-14-9-19/h2-6,9-10,12,16-18H,7-8H2,1H3
InChIKeyFDYBUDDMTZHPHG-UHFFFAOYSA-N
MW322.39 g/mol
LogP-0.45
Rot. Bonds5

About N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-3-methylpyrazolidine-4-sulfonamide

N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-3-methylpyrazolidine-4-sulfonamide (PubChem CID 134068444) has the molecular formula C13H18N6O2S and a molecular weight of 322.39 g/mol. Its IUPAC name is N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-3-methylpyrazolidine-4-sulfonamide.

Molecular Properties

Compound NameN-[(2-imidazol-1-yl-4-pyridinyl)methyl]-3-methylpyrazolidine-4-sulfonamide
PubChem CID134068444
Molecular FormulaC13H18N6O2S
Molecular Weight322.39 g/mol
Exact Mass322.12
IUPAC NameN-[(2-imidazol-1-yl-4-pyridinyl)methyl]-3-methylpyrazolidine-4-sulfonamide
SMILESCC1NNCC1S(=O)(=O)NCc1ccnc(-n2ccnc2)c1
InChIInChI=1S/C13H18N6O2S/c1-10-12(8-16-18-10)22(20,21)17-7-11-2-3-15-13(6-11)19-5-4-14-9-19/h2-6,9-10,12,16-18H,7-8H2,1H3
InChIKeyFDYBUDDMTZHPHG-UHFFFAOYSA-N
XLogP-0.45
TPSA100.94 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 5-0.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

1,2-dichloro-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-2-phenylethenesulfonamide
CID 126816712
2-(cyclopropylmethylamino)-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]acetamide;dihydrochloride
CID 119859974
N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 47075495
3-chloro-4-fluoro-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]benzenesulfonamide
CID 60587219
2-imidazol-1-yl-4-[(1-methylsulfonylpiperidin-3-yl)methyl]pyridine
CID 110257313
1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]methanamine
CID 75377962
(2R)-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]piperidine-2-carboxamide
CID 119859955
N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-4-(methylamino)butanamide;dihydrochloride
CID 119859956
3-[(2-imidazol-1-yl-4-pyridinyl)methyl]-1-(2-methylpropyl)-1-propan-2-ylurea
CID 136527613
(1S)-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]cyclohex-3-ene-1-carboxamide
CID 94565002
1-(2-hydroxycyclohexyl)-3-[(2-imidazol-1-yl-4-pyridinyl)methyl]urea
CID 110933396
N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-3,3-diphenylpropanamide
CID 47060911

Frequently Asked Questions

What is the IUPAC name of N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-3-methylpyrazolidine-4-sulfonamide?
The IUPAC name of N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-3-methylpyrazolidine-4-sulfonamide (CID 134068444) is N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-3-methylpyrazolidine-4-sulfonamide.
What is the SMILES notation for N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-3-methylpyrazolidine-4-sulfonamide?
The canonical SMILES for N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-3-methylpyrazolidine-4-sulfonamide is CC1NNCC1S(=O)(=O)NCc1ccnc(-n2ccnc2)c1.
What is the InChIKey of N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-3-methylpyrazolidine-4-sulfonamide?
The InChIKey is FDYBUDDMTZHPHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O2S/c1-10-12(8-16-18-10)22(20,21)17-7-11-2-3-15-13(6-11)19-5-4-14-9-19/h2-6,9-10,12,16-18H,7-8H2,1H3.
What are the key properties of N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-3-methylpyrazolidine-4-sulfonamide?
N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-3-methylpyrazolidine-4-sulfonamide has a molecular weight of 322.39 g/mol, XLogP of -0.45, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-3-methylpyrazolidine-4-sulfonamide is sourced from PubChem (CID 134068444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).