N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2,1,3-benzothiadiazole-4-sulfonamide

C17H14FN5O2S2 — CID 42924736

IUPACN-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2,1,3-benzothiadiazole-4-sulfonamide
SMILESCn1ccnc1C(NS(=O)(=O)c1cccc2nsnc12)c1ccc(F)cc1
InChIInChI=1S/C17H14FN5O2S2/c1-23-10-9-19-17(23)15(11-5-7-12(18)8-6-11)22-27(24,25)14-4-2-3-13-16(14)21-26-20-13/h2-10,15,22H,1H3
InChIKeyIPIOFJNFBCSIKF-UHFFFAOYSA-N
MW403.46 g/mol
LogP2.63
Rot. Bonds5

About N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2,1,3-benzothiadiazole-4-sulfonamide

N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2,1,3-benzothiadiazole-4-sulfonamide (PubChem CID 42924736) has the molecular formula C17H14FN5O2S2 and a molecular weight of 403.46 g/mol. Its IUPAC name is N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2,1,3-benzothiadiazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2,1,3-benzothiadiazole-4-sulfonamide
PubChem CID42924736
Molecular FormulaC17H14FN5O2S2
Molecular Weight403.46 g/mol
Exact Mass403.06
IUPAC NameN-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2,1,3-benzothiadiazole-4-sulfonamide
SMILESCn1ccnc1C(NS(=O)(=O)c1cccc2nsnc12)c1ccc(F)cc1
InChIInChI=1S/C17H14FN5O2S2/c1-23-10-9-19-17(23)15(11-5-7-12(18)8-6-11)22-27(24,25)14-4-2-3-13-16(14)21-26-20-13/h2-10,15,22H,1H3
InChIKeyIPIOFJNFBCSIKF-UHFFFAOYSA-N
XLogP2.63
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-fluoro-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 25350052
2-chloro-4-fluoro-N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 93233572
N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-methylbenzenesulfonamide
CID 40939712
N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3,4-dimethylbenzenesulfonamide
CID 40797862
2-[(S)-(diethylsulfamoylamino)-(4-fluorophenyl)methyl]-1-methylimidazole
CID 31080259
2-chloro-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]ethanesulfonamide
CID 107650683
2-bromo-N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 25345807
N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]azepane-1-sulfonamide
CID 18148569
2,6-dichloro-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 24541169
N-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-propan-2-ylbenzenesulfonamide
CID 40939702
4-cyclohexyl-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 24541144
[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]hydrazine
CID 105192712

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2,1,3-benzothiadiazole-4-sulfonamide?
The IUPAC name of N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2,1,3-benzothiadiazole-4-sulfonamide (CID 42924736) is N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2,1,3-benzothiadiazole-4-sulfonamide.
What is the SMILES notation for N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2,1,3-benzothiadiazole-4-sulfonamide?
The canonical SMILES for N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2,1,3-benzothiadiazole-4-sulfonamide is Cn1ccnc1C(NS(=O)(=O)c1cccc2nsnc12)c1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2,1,3-benzothiadiazole-4-sulfonamide?
The InChIKey is IPIOFJNFBCSIKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN5O2S2/c1-23-10-9-19-17(23)15(11-5-7-12(18)8-6-11)22-27(24,25)14-4-2-3-13-16(14)21-26-20-13/h2-10,15,22H,1H3.
What are the key properties of N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2,1,3-benzothiadiazole-4-sulfonamide?
N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2,1,3-benzothiadiazole-4-sulfonamide has a molecular weight of 403.46 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2,1,3-benzothiadiazole-4-sulfonamide is sourced from PubChem (CID 42924736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).