N-[1-[(6-chloro-3-pyridinyl)methylsulfonyl]imidazolidin-2-ylidene]nitramide

C9H10ClN5O4S — CID 173380317

IUPACN-[1-[(6-chloro-3-pyridinyl)methylsulfonyl]imidazolidin-2-ylidene]nitramide
SMILESO=[N+]([O-])N=C1NCCN1S(=O)(=O)Cc1ccc(Cl)nc1
InChIInChI=1S/C9H10ClN5O4S/c10-8-2-1-7(5-12-8)6-20(18,19)14-4-3-11-9(14)13-15(16)17/h1-2,5H,3-4,6H2,(H,11,13)
InChIKeyDKZPZLMLBUREPM-UHFFFAOYSA-N
MW319.73 g/mol
LogP0.02
Rot. Bonds4

About N-[1-[(6-chloro-3-pyridinyl)methylsulfonyl]imidazolidin-2-ylidene]nitramide

N-[1-[(6-chloro-3-pyridinyl)methylsulfonyl]imidazolidin-2-ylidene]nitramide (PubChem CID 173380317) has the molecular formula C9H10ClN5O4S and a molecular weight of 319.73 g/mol. Its IUPAC name is N-[1-[(6-chloro-3-pyridinyl)methylsulfonyl]imidazolidin-2-ylidene]nitramide.

Molecular Properties

Compound NameN-[1-[(6-chloro-3-pyridinyl)methylsulfonyl]imidazolidin-2-ylidene]nitramide
PubChem CID173380317
Molecular FormulaC9H10ClN5O4S
Molecular Weight319.73 g/mol
Exact Mass319.01
IUPAC NameN-[1-[(6-chloro-3-pyridinyl)methylsulfonyl]imidazolidin-2-ylidene]nitramide
SMILESO=[N+]([O-])N=C1NCCN1S(=O)(=O)Cc1ccc(Cl)nc1
InChIInChI=1S/C9H10ClN5O4S/c10-8-2-1-7(5-12-8)6-20(18,19)14-4-3-11-9(14)13-15(16)17/h1-2,5H,3-4,6H2,(H,11,13)
InChIKeyDKZPZLMLBUREPM-UHFFFAOYSA-N
XLogP0.02
TPSA117.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.73
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(NE)-N-[1-[(6-chloro-3-pyridinyl)methyl]imidazolidin-2-ylidene]nitramide;propan-2-one
CID 136598165
(NE)-N-[1-[(6-chloro-3-pyridinyl)methyl]-4,4,5,5-tetradeuterioimidazolidin-2-ylidene]nitramide
CID 137183220
(NE)-N-[1-[(6-chloro-3-pyridinyl)methyl]imidazolidin-2-ylidene]nitramide;3-[(6-chloro-3-pyridinyl)methyl-methylamino]-2H-furan-5-one
CID 135765294
(NZ)-N-[1-[(6-chloro-3-pyridinyl)methyl]-5-propan-2-yl-1,3,5-triazinan-2-ylidene]nitramide
CID 135778493
(NE)-N-[(3aS,7aR)-3-[(6-chloro-3-pyridinyl)methyl]-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-ylidene]nitramide
CID 177457609
N-[1-[(6-chloro-3-pyridinyl)methyl]-3-methyl-1,3,5-triazinan-2-ylidene]nitramide
CID 54357438
(NZ)-N-[1-[(6-chloro-3-pyridinyl)methyl]-5-prop-2-enyl-1,3,5-triazinan-2-ylidene]nitramide
CID 135686632
N-[1-[(6-chloro-3-pyridinyl)methyl]-4-ethoxyimidazolidin-2-ylidene]nitramide
CID 152747490
(NZ)-N-[1-[(6-chloro-3-pyridinyl)methyl]-3-(methoxymethyl)imidazolidin-2-ylidene]nitramide
CID 15065931
(NZ)-N-[2-[(6-chloro-3-pyridinyl)methyl]-1,4,2-oxathiazinan-3-ylidene]nitramide
CID 22946101
2-chloro-5-[[(2Z)-2-(2,3,3-trichloro-1-nitroprop-2-enylidene)imidazolidin-1-yl]methyl]pyridine
CID 10293375
4-[(6-chloro-3-pyridinyl)methyl]-3,3-dimethylpiperazin-2-one
CID 55217466

Frequently Asked Questions

What is the IUPAC name of N-[1-[(6-chloro-3-pyridinyl)methylsulfonyl]imidazolidin-2-ylidene]nitramide?
The IUPAC name of N-[1-[(6-chloro-3-pyridinyl)methylsulfonyl]imidazolidin-2-ylidene]nitramide (CID 173380317) is N-[1-[(6-chloro-3-pyridinyl)methylsulfonyl]imidazolidin-2-ylidene]nitramide.
What is the SMILES notation for N-[1-[(6-chloro-3-pyridinyl)methylsulfonyl]imidazolidin-2-ylidene]nitramide?
The canonical SMILES for N-[1-[(6-chloro-3-pyridinyl)methylsulfonyl]imidazolidin-2-ylidene]nitramide is O=[N+]([O-])N=C1NCCN1S(=O)(=O)Cc1ccc(Cl)nc1.
What is the InChIKey of N-[1-[(6-chloro-3-pyridinyl)methylsulfonyl]imidazolidin-2-ylidene]nitramide?
The InChIKey is DKZPZLMLBUREPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN5O4S/c10-8-2-1-7(5-12-8)6-20(18,19)14-4-3-11-9(14)13-15(16)17/h1-2,5H,3-4,6H2,(H,11,13).
What are the key properties of N-[1-[(6-chloro-3-pyridinyl)methylsulfonyl]imidazolidin-2-ylidene]nitramide?
N-[1-[(6-chloro-3-pyridinyl)methylsulfonyl]imidazolidin-2-ylidene]nitramide has a molecular weight of 319.73 g/mol, XLogP of 0.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(6-chloro-3-pyridinyl)methylsulfonyl]imidazolidin-2-ylidene]nitramide is sourced from PubChem (CID 173380317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).