N-(5-chloropentyl)-N,2-dimethyl-1H-imidazole-5-sulfonamide

C10H18ClN3O2S — CID 107206469

IUPACN-(5-chloropentyl)-N,2-dimethyl-1H-imidazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)N(C)CCCCCCl)[nH]1
InChIInChI=1S/C10H18ClN3O2S/c1-9-12-8-10(13-9)17(15,16)14(2)7-5-3-4-6-11/h8H,3-7H2,1-2H3,(H,12,13)
InChIKeyFFBZVPPUXDNWPI-UHFFFAOYSA-N
MW279.79 g/mol
LogP1.75
Rot. Bonds7

About N-(5-chloropentyl)-N,2-dimethyl-1H-imidazole-5-sulfonamide

N-(5-chloropentyl)-N,2-dimethyl-1H-imidazole-5-sulfonamide (PubChem CID 107206469) has the molecular formula C10H18ClN3O2S and a molecular weight of 279.79 g/mol. Its IUPAC name is N-(5-chloropentyl)-N,2-dimethyl-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound NameN-(5-chloropentyl)-N,2-dimethyl-1H-imidazole-5-sulfonamide
PubChem CID107206469
Molecular FormulaC10H18ClN3O2S
Molecular Weight279.79 g/mol
Exact Mass279.08
IUPAC NameN-(5-chloropentyl)-N,2-dimethyl-1H-imidazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)N(C)CCCCCCl)[nH]1
InChIInChI=1S/C10H18ClN3O2S/c1-9-12-8-10(13-9)17(15,16)14(2)7-5-3-4-6-11/h8H,3-7H2,1-2H3,(H,12,13)
InChIKeyFFBZVPPUXDNWPI-UHFFFAOYSA-N
XLogP1.75
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.79
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(1H-imidazol-5-ylsulfonyl)-3,5-dimethylpiperidine
CID 20856403
1-(1H-imidazol-4-ylsulfonyl)azepane
CID 3235988
1-(1H-imidazole-4-sulfonyl)piperidine
CID 6619508
2-methyl-1H-imidazole-5-sulfonyl chloride
CID 10583549
N-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)-1H-imidazole-5-sulfonamide
CID 62999490
2-ethyl-N-methyl-N-(2,2,2-trifluoroethyl)-1H-imidazole-5-sulfonamide
CID 64148868
N-butyl-2-methyl-N-(2,2,2-trifluoroethyl)-1H-imidazole-5-sulfonamide
CID 64148905
N-butyl-2-ethyl-N-(2,2,2-trifluoroethyl)-1H-imidazole-5-sulfonamide
CID 64148906
2-ethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-imidazole-5-sulfonamide
CID 64148918
2-methyl-N-propyl-N-(2,2,2-trifluoroethyl)-1H-imidazole-5-sulfonamide
CID 64149084
2-ethyl-N-propyl-N-(2,2,2-trifluoroethyl)-1H-imidazole-5-sulfonamide
CID 64149085
2-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1H-imidazole-5-sulfonamide
CID 64149093

Frequently Asked Questions

What is the IUPAC name of N-(5-chloropentyl)-N,2-dimethyl-1H-imidazole-5-sulfonamide?
The IUPAC name of N-(5-chloropentyl)-N,2-dimethyl-1H-imidazole-5-sulfonamide (CID 107206469) is N-(5-chloropentyl)-N,2-dimethyl-1H-imidazole-5-sulfonamide.
What is the SMILES notation for N-(5-chloropentyl)-N,2-dimethyl-1H-imidazole-5-sulfonamide?
The canonical SMILES for N-(5-chloropentyl)-N,2-dimethyl-1H-imidazole-5-sulfonamide is Cc1ncc(S(=O)(=O)N(C)CCCCCCl)[nH]1.
What is the InChIKey of N-(5-chloropentyl)-N,2-dimethyl-1H-imidazole-5-sulfonamide?
The InChIKey is FFBZVPPUXDNWPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClN3O2S/c1-9-12-8-10(13-9)17(15,16)14(2)7-5-3-4-6-11/h8H,3-7H2,1-2H3,(H,12,13).
What are the key properties of N-(5-chloropentyl)-N,2-dimethyl-1H-imidazole-5-sulfonamide?
N-(5-chloropentyl)-N,2-dimethyl-1H-imidazole-5-sulfonamide has a molecular weight of 279.79 g/mol, XLogP of 1.75, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloropentyl)-N,2-dimethyl-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 107206469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).