2-[(S)-(diethylsulfamoylamino)-(4-fluorophenyl)methyl]-1-methylimidazole

C15H21FN4O2S — CID 31080259

IUPAC2-[(S)-(diethylsulfamoylamino)-(4-fluorophenyl)methyl]-1-methylimidazole
SMILESCCN(CC)S(=O)(=O)N[C@@H](c1ccc(F)cc1)c1nccn1C
InChIInChI=1S/C15H21FN4O2S/c1-4-20(5-2)23(21,22)18-14(15-17-10-11-19(15)3)12-6-8-13(16)9-7-12/h6-11,14,18H,4-5H2,1-3H3/t14-/m0/s1
InChIKeyZQWFIHBUBCESMV-AWEZNQCLSA-N
MW340.42 g/mol
LogP1.82
Rot. Bonds7

About 2-[(S)-(diethylsulfamoylamino)-(4-fluorophenyl)methyl]-1-methylimidazole

2-[(S)-(diethylsulfamoylamino)-(4-fluorophenyl)methyl]-1-methylimidazole (PubChem CID 31080259) has the molecular formula C15H21FN4O2S and a molecular weight of 340.42 g/mol. Its IUPAC name is 2-[(S)-(diethylsulfamoylamino)-(4-fluorophenyl)methyl]-1-methylimidazole.

Molecular Properties

Compound Name2-[(S)-(diethylsulfamoylamino)-(4-fluorophenyl)methyl]-1-methylimidazole
PubChem CID31080259
Molecular FormulaC15H21FN4O2S
Molecular Weight340.42 g/mol
Exact Mass340.14
IUPAC Name2-[(S)-(diethylsulfamoylamino)-(4-fluorophenyl)methyl]-1-methylimidazole
SMILESCCN(CC)S(=O)(=O)N[C@@H](c1ccc(F)cc1)c1nccn1C
InChIInChI=1S/C15H21FN4O2S/c1-4-20(5-2)23(21,22)18-14(15-17-10-11-19(15)3)12-6-8-13(16)9-7-12/h6-11,14,18H,4-5H2,1-3H3/t14-/m0/s1
InChIKeyZQWFIHBUBCESMV-AWEZNQCLSA-N
XLogP1.82
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-chlorophenyl)-(diethylsulfamoylamino)methyl]-1-methylimidazole
CID 46511184
2-[(R)-(diethylsulfamoylamino)-phenylmethyl]-1-methylimidazole
CID 31080245
4-fluoro-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 25350052
2-chloro-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]ethanesulfonamide
CID 107650683
1-(3,4-dichlorophenyl)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]methanesulfonamide
CID 56513263
N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-methylbenzenesulfonamide
CID 40939712
N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]azepane-1-sulfonamide
CID 18148569
2-chloro-4-fluoro-N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 93233572
[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]hydrazine
CID 105192712
2-[(dimethylsulfamoylamino)-phenylmethyl]-1-methylimidazole
CID 47164910
N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3,4-dimethylbenzenesulfonamide
CID 40797862
1-N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-4-N,4-N-diethylbenzene-1,4-disulfonamide
CID 24541093

Frequently Asked Questions

What is the IUPAC name of 2-[(S)-(diethylsulfamoylamino)-(4-fluorophenyl)methyl]-1-methylimidazole?
The IUPAC name of 2-[(S)-(diethylsulfamoylamino)-(4-fluorophenyl)methyl]-1-methylimidazole (CID 31080259) is 2-[(S)-(diethylsulfamoylamino)-(4-fluorophenyl)methyl]-1-methylimidazole.
What is the SMILES notation for 2-[(S)-(diethylsulfamoylamino)-(4-fluorophenyl)methyl]-1-methylimidazole?
The canonical SMILES for 2-[(S)-(diethylsulfamoylamino)-(4-fluorophenyl)methyl]-1-methylimidazole is CCN(CC)S(=O)(=O)N[C@@H](c1ccc(F)cc1)c1nccn1C.
What is the InChIKey of 2-[(S)-(diethylsulfamoylamino)-(4-fluorophenyl)methyl]-1-methylimidazole?
The InChIKey is ZQWFIHBUBCESMV-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H21FN4O2S/c1-4-20(5-2)23(21,22)18-14(15-17-10-11-19(15)3)12-6-8-13(16)9-7-12/h6-11,14,18H,4-5H2,1-3H3/t14-/m0/s1.
What are the key properties of 2-[(S)-(diethylsulfamoylamino)-(4-fluorophenyl)methyl]-1-methylimidazole?
2-[(S)-(diethylsulfamoylamino)-(4-fluorophenyl)methyl]-1-methylimidazole has a molecular weight of 340.42 g/mol, XLogP of 1.82, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(S)-(diethylsulfamoylamino)-(4-fluorophenyl)methyl]-1-methylimidazole is sourced from PubChem (CID 31080259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).