N-(4-aminobutyl)-5-chloro-1-methylimidazole-4-sulfonamide

C8H15ClN4O2S — CID 61250573

IUPACN-(4-aminobutyl)-5-chloro-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NCCCCN)c1Cl
InChIInChI=1S/C8H15ClN4O2S/c1-13-6-11-8(7(13)9)16(14,15)12-5-3-2-4-10/h6,12H,2-5,10H2,1H3
InChIKeyKRJFJZMYNZHYQP-UHFFFAOYSA-N
MW266.75 g/mol
LogP0.09
Rot. Bonds6

About N-(4-aminobutyl)-5-chloro-1-methylimidazole-4-sulfonamide

N-(4-aminobutyl)-5-chloro-1-methylimidazole-4-sulfonamide (PubChem CID 61250573) has the molecular formula C8H15ClN4O2S and a molecular weight of 266.75 g/mol. Its IUPAC name is N-(4-aminobutyl)-5-chloro-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(4-aminobutyl)-5-chloro-1-methylimidazole-4-sulfonamide
PubChem CID61250573
Molecular FormulaC8H15ClN4O2S
Molecular Weight266.75 g/mol
Exact Mass266.06
IUPAC NameN-(4-aminobutyl)-5-chloro-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NCCCCN)c1Cl
InChIInChI=1S/C8H15ClN4O2S/c1-13-6-11-8(7(13)9)16(14,15)12-5-3-2-4-10/h6,12H,2-5,10H2,1H3
InChIKeyKRJFJZMYNZHYQP-UHFFFAOYSA-N
XLogP0.09
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.75
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminopropyl)-5-chloro-1-methylimidazole-4-sulfonamide
CID 61247762
5-chloro-1-methyl-N-(3-methylsulfanylpropyl)imidazole-4-sulfonamide
CID 63965435
5-chloro-1-methyl-N-(4,4,4-trifluorobutyl)imidazole-4-sulfonamide
CID 79040358
5-chloro-N-(4-hydroxypentyl)-1-methylimidazole-4-sulfonamide
CID 107271238
5-chloro-N-(5-hydroxy-4-methylpentyl)-1-methylimidazole-4-sulfonamide
CID 103858809
5-chloro-N-[2-(ethylsulfamoyl)ethyl]-1-methylimidazole-4-sulfonamide
CID 113233818
methyl 3-[(5-chloro-1-methylimidazol-4-yl)sulfonylamino]propanoate
CID 60745024
5-chloro-N-[2-(3-hydroxypropylsulfanyl)ethyl]-1-methylimidazole-4-sulfonamide
CID 103834891
5-chloro-N-(2-methoxypropyl)-1-methylimidazole-4-sulfonamide
CID 102697795
5-chloro-N-(3-hydroxy-2-methylpropyl)-1-methylimidazole-4-sulfonamide
CID 65035723
5-chloro-N-[2-(cyclopropylmethoxy)ethyl]-1-methylimidazole-4-sulfonamide
CID 113233532
5-chloro-1-methyl-N-[(4-methylphenyl)methyl]imidazole-4-sulfonamide
CID 43415290

Frequently Asked Questions

What is the IUPAC name of N-(4-aminobutyl)-5-chloro-1-methylimidazole-4-sulfonamide?
The IUPAC name of N-(4-aminobutyl)-5-chloro-1-methylimidazole-4-sulfonamide (CID 61250573) is N-(4-aminobutyl)-5-chloro-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for N-(4-aminobutyl)-5-chloro-1-methylimidazole-4-sulfonamide?
The canonical SMILES for N-(4-aminobutyl)-5-chloro-1-methylimidazole-4-sulfonamide is Cn1cnc(S(=O)(=O)NCCCCN)c1Cl.
What is the InChIKey of N-(4-aminobutyl)-5-chloro-1-methylimidazole-4-sulfonamide?
The InChIKey is KRJFJZMYNZHYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15ClN4O2S/c1-13-6-11-8(7(13)9)16(14,15)12-5-3-2-4-10/h6,12H,2-5,10H2,1H3.
What are the key properties of N-(4-aminobutyl)-5-chloro-1-methylimidazole-4-sulfonamide?
N-(4-aminobutyl)-5-chloro-1-methylimidazole-4-sulfonamide has a molecular weight of 266.75 g/mol, XLogP of 0.09, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminobutyl)-5-chloro-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 61250573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).