5-chloro-N,1-dimethyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]imidazole-4-sulfonamide

C15H18ClN3O2S — CID 35310269

IUPAC5-chloro-N,1-dimethyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]imidazole-4-sulfonamide
SMILESCN([C@H]1CCCc2ccccc21)S(=O)(=O)c1ncn(C)c1Cl
InChIInChI=1S/C15H18ClN3O2S/c1-18-10-17-15(14(18)16)22(20,21)19(2)13-9-5-7-11-6-3-4-8-12(11)13/h3-4,6,8,10,13H,5,7,9H2,1-2H3/t13-/m0/s1
InChIKeyVIVCPIBBOLRPRF-ZDUSSCGKSA-N
MW339.85 g/mol
LogP2.77
Rot. Bonds3

About 5-chloro-N,1-dimethyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]imidazole-4-sulfonamide

5-chloro-N,1-dimethyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]imidazole-4-sulfonamide (PubChem CID 35310269) has the molecular formula C15H18ClN3O2S and a molecular weight of 339.85 g/mol. Its IUPAC name is 5-chloro-N,1-dimethyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]imidazole-4-sulfonamide.

Molecular Properties

Compound Name5-chloro-N,1-dimethyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]imidazole-4-sulfonamide
PubChem CID35310269
Molecular FormulaC15H18ClN3O2S
Molecular Weight339.85 g/mol
Exact Mass339.08
IUPAC Name5-chloro-N,1-dimethyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]imidazole-4-sulfonamide
SMILESCN([C@H]1CCCc2ccccc21)S(=O)(=O)c1ncn(C)c1Cl
InChIInChI=1S/C15H18ClN3O2S/c1-18-10-17-15(14(18)16)22(20,21)19(2)13-9-5-7-11-6-3-4-8-12(11)13/h3-4,6,8,10,13H,5,7,9H2,1-2H3/t13-/m0/s1
InChIKeyVIVCPIBBOLRPRF-ZDUSSCGKSA-N
XLogP2.77
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.85
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-chloro-N,1-dimethyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]imidazole-4-sulfonamide with MolForge

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Related Compounds

N-methyl-4-methylsulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzenesulfonamide
CID 42896930
2-bromo-N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide
CID 9301292
4-fluoro-N-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide
CID 9301214
N,5-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrazole-4-sulfonamide
CID 60958622
4-(difluoromethylsulfonyl)-N-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide
CID 34041667
3-fluoro-N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide
CID 30934964
3,4-dimethoxy-N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide
CID 9301336
N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-3,4-dihydro-1H-isoquinoline-2-sulfonamide
CID 43049567
5-chloro-N,1-dimethyl-N-[(1S)-1-phenylethyl]imidazole-4-sulfonamide
CID 35330359
2-[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)sulfamoyl]propanoic acid
CID 61455331
N-cyclopropyl-1-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazole-4-sulfonamide
CID 56825683
5-bromo-2-methoxy-N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide
CID 9301327

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N,1-dimethyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]imidazole-4-sulfonamide?
The IUPAC name of 5-chloro-N,1-dimethyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]imidazole-4-sulfonamide (CID 35310269) is 5-chloro-N,1-dimethyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]imidazole-4-sulfonamide.
What is the SMILES notation for 5-chloro-N,1-dimethyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]imidazole-4-sulfonamide?
The canonical SMILES for 5-chloro-N,1-dimethyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]imidazole-4-sulfonamide is CN([C@H]1CCCc2ccccc21)S(=O)(=O)c1ncn(C)c1Cl.
What is the InChIKey of 5-chloro-N,1-dimethyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]imidazole-4-sulfonamide?
The InChIKey is VIVCPIBBOLRPRF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H18ClN3O2S/c1-18-10-17-15(14(18)16)22(20,21)19(2)13-9-5-7-11-6-3-4-8-12(11)13/h3-4,6,8,10,13H,5,7,9H2,1-2H3/t13-/m0/s1.
What are the key properties of 5-chloro-N,1-dimethyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]imidazole-4-sulfonamide?
5-chloro-N,1-dimethyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]imidazole-4-sulfonamide has a molecular weight of 339.85 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N,1-dimethyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]imidazole-4-sulfonamide is sourced from PubChem (CID 35310269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).