N-(3-chloro-4-methoxybutyl)-1H-imidazole-5-sulfonamide

C8H14ClN3O3S — CID 106245540

IUPACN-(3-chloro-4-methoxybutyl)-1H-imidazole-5-sulfonamide
SMILESCOCC(Cl)CCNS(=O)(=O)c1cnc[nH]1
InChIInChI=1S/C8H14ClN3O3S/c1-15-5-7(9)2-3-12-16(13,14)8-4-10-6-11-8/h4,6-7,12H,2-3,5H2,1H3,(H,10,11)
InChIKeyFIYJWXZQZVXMKT-UHFFFAOYSA-N
MW267.74 g/mol
LogP0.33
Rot. Bonds7

About N-(3-chloro-4-methoxybutyl)-1H-imidazole-5-sulfonamide

N-(3-chloro-4-methoxybutyl)-1H-imidazole-5-sulfonamide (PubChem CID 106245540) has the molecular formula C8H14ClN3O3S and a molecular weight of 267.74 g/mol. Its IUPAC name is N-(3-chloro-4-methoxybutyl)-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxybutyl)-1H-imidazole-5-sulfonamide
PubChem CID106245540
Molecular FormulaC8H14ClN3O3S
Molecular Weight267.74 g/mol
Exact Mass267.04
IUPAC NameN-(3-chloro-4-methoxybutyl)-1H-imidazole-5-sulfonamide
SMILESCOCC(Cl)CCNS(=O)(=O)c1cnc[nH]1
InChIInChI=1S/C8H14ClN3O3S/c1-15-5-7(9)2-3-12-16(13,14)8-4-10-6-11-8/h4,6-7,12H,2-3,5H2,1H3,(H,10,11)
InChIKeyFIYJWXZQZVXMKT-UHFFFAOYSA-N
XLogP0.33
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.74
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chloro-4-methoxybutyl)-1H-pyrazole-5-sulfonamide
CID 106245564
N-(3-bromobutyl)-1H-imidazole-5-sulfonamide
CID 114297759
N-(2-propan-2-yloxyethyl)-1H-imidazole-5-sulfonamide
CID 104600676
N-(5-chloro-4-methylpentyl)-1H-imidazole-5-sulfonamide
CID 106158955
N-(3-chloro-4-methoxybutyl)-5-fluoropyridine-3-sulfonamide
CID 106245517
N-(5-methylhexyl)-1H-imidazole-5-sulfonamide
CID 79002686
N-(4-amino-1-methoxybutan-2-yl)-1H-imidazole-5-sulfonamide
CID 106153872
N-(4-bromo-1-methoxybutan-2-yl)-1H-imidazole-5-sulfonamide
CID 106158527
N-(1-amino-3-methoxypropan-2-yl)-1H-imidazole-5-sulfonamide
CID 106181220
N-[3-(methanesulfonamido)propyl]-1H-imidazole-5-sulfonamide
CID 103680413
N-(3-chloro-4-methoxybutyl)-4-methoxybenzenesulfonamide
CID 106245506
N-(3-chloro-4-methoxybutyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 106245504

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxybutyl)-1H-imidazole-5-sulfonamide?
The IUPAC name of N-(3-chloro-4-methoxybutyl)-1H-imidazole-5-sulfonamide (CID 106245540) is N-(3-chloro-4-methoxybutyl)-1H-imidazole-5-sulfonamide.
What is the SMILES notation for N-(3-chloro-4-methoxybutyl)-1H-imidazole-5-sulfonamide?
The canonical SMILES for N-(3-chloro-4-methoxybutyl)-1H-imidazole-5-sulfonamide is COCC(Cl)CCNS(=O)(=O)c1cnc[nH]1.
What is the InChIKey of N-(3-chloro-4-methoxybutyl)-1H-imidazole-5-sulfonamide?
The InChIKey is FIYJWXZQZVXMKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClN3O3S/c1-15-5-7(9)2-3-12-16(13,14)8-4-10-6-11-8/h4,6-7,12H,2-3,5H2,1H3,(H,10,11).
What are the key properties of N-(3-chloro-4-methoxybutyl)-1H-imidazole-5-sulfonamide?
N-(3-chloro-4-methoxybutyl)-1H-imidazole-5-sulfonamide has a molecular weight of 267.74 g/mol, XLogP of 0.33, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxybutyl)-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 106245540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).