5-chloro-1-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)imidazole-4-sulfonamide

C14H16ClN3O2S — CID 43415193

IUPAC5-chloro-1-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)imidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)Nc2cccc3c2CCCC3)c1Cl
InChIInChI=1S/C14H16ClN3O2S/c1-18-9-16-14(13(18)15)21(19,20)17-12-8-4-6-10-5-2-3-7-11(10)12/h4,6,8-9,17H,2-3,5,7H2,1H3
InChIKeyWTKNXZSGJYSOQU-UHFFFAOYSA-N
MW325.82 g/mol
LogP2.75
Rot. Bonds3

About 5-chloro-1-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)imidazole-4-sulfonamide

5-chloro-1-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)imidazole-4-sulfonamide (PubChem CID 43415193) has the molecular formula C14H16ClN3O2S and a molecular weight of 325.82 g/mol. Its IUPAC name is 5-chloro-1-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)imidazole-4-sulfonamide.

Molecular Properties

Compound Name5-chloro-1-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)imidazole-4-sulfonamide
PubChem CID43415193
Molecular FormulaC14H16ClN3O2S
Molecular Weight325.82 g/mol
Exact Mass325.07
IUPAC Name5-chloro-1-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)imidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)Nc2cccc3c2CCCC3)c1Cl
InChIInChI=1S/C14H16ClN3O2S/c1-18-9-16-14(13(18)15)21(19,20)17-12-8-4-6-10-5-2-3-7-11(10)12/h4,6,8-9,17H,2-3,5,7H2,1H3
InChIKeyWTKNXZSGJYSOQU-UHFFFAOYSA-N
XLogP2.75
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.82
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-(2-fluorophenyl)-1-methylimidazole-4-sulfonamide
CID 43415160
5-chloro-N-(2,3-dichlorophenyl)-1-methylimidazole-4-sulfonamide
CID 43456018
5-chloro-1-methyl-N-(2-nitrophenyl)imidazole-4-sulfonamide
CID 61051631
5-chloro-N-(2-fluoro-4-methylphenyl)-1-methylimidazole-4-sulfonamide
CID 43415195
3-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide
CID 5104116
5-chloro-N-(2,5-difluorophenyl)-1-methylimidazole-4-sulfonamide
CID 43415175
3-[(5-chloro-1-methylimidazol-4-yl)sulfonylamino]benzamide
CID 60747411
5-chloro-N-(5-chloro-2-cyanophenyl)-1-methylimidazole-4-sulfonamide
CID 61051415
1-ethyl-3,5-dimethyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrazole-4-sulfonamide
CID 35764851
5-chloro-1-methyl-N-pyridin-4-ylimidazole-4-sulfonamide
CID 43455993
1-N-cyclopropyl-4-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzene-1,4-disulfonamide
CID 35507830
4-(3-methyl-1,2-oxazol-5-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide
CID 20917438

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)imidazole-4-sulfonamide?
The IUPAC name of 5-chloro-1-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)imidazole-4-sulfonamide (CID 43415193) is 5-chloro-1-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)imidazole-4-sulfonamide.
What is the SMILES notation for 5-chloro-1-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)imidazole-4-sulfonamide?
The canonical SMILES for 5-chloro-1-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)imidazole-4-sulfonamide is Cn1cnc(S(=O)(=O)Nc2cccc3c2CCCC3)c1Cl.
What is the InChIKey of 5-chloro-1-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)imidazole-4-sulfonamide?
The InChIKey is WTKNXZSGJYSOQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2S/c1-18-9-16-14(13(18)15)21(19,20)17-12-8-4-6-10-5-2-3-7-11(10)12/h4,6,8-9,17H,2-3,5,7H2,1H3.
What are the key properties of 5-chloro-1-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)imidazole-4-sulfonamide?
5-chloro-1-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)imidazole-4-sulfonamide has a molecular weight of 325.82 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)imidazole-4-sulfonamide is sourced from PubChem (CID 43415193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).