N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-(methanesulfonamido)benzamide

C18H17FN4O3S — CID 47074711

IUPACN-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-(methanesulfonamido)benzamide
SMILESCS(=O)(=O)Nc1cccc(C(=O)NCc2ccc(-n3ccnc3)c(F)c2)c1
InChIInChI=1S/C18H17FN4O3S/c1-27(25,26)22-15-4-2-3-14(10-15)18(24)21-11-13-5-6-17(16(19)9-13)23-8-7-20-12-23/h2-10,12,22H,11H2,1H3,(H,21,24)
InChIKeyBKESGMCEZPPLQU-UHFFFAOYSA-N
MW388.42 g/mol
LogP2.31
Rot. Bonds6

About N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-(methanesulfonamido)benzamide

N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-(methanesulfonamido)benzamide (PubChem CID 47074711) has the molecular formula C18H17FN4O3S and a molecular weight of 388.42 g/mol. Its IUPAC name is N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-(methanesulfonamido)benzamide.

Molecular Properties

Compound NameN-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-(methanesulfonamido)benzamide
PubChem CID47074711
Molecular FormulaC18H17FN4O3S
Molecular Weight388.42 g/mol
Exact Mass388.10
IUPAC NameN-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-(methanesulfonamido)benzamide
SMILESCS(=O)(=O)Nc1cccc(C(=O)NCc2ccc(-n3ccnc3)c(F)c2)c1
InChIInChI=1S/C18H17FN4O3S/c1-27(25,26)22-15-4-2-3-14(10-15)18(24)21-11-13-5-6-17(16(19)9-13)23-8-7-20-12-23/h2-10,12,22H,11H2,1H3,(H,21,24)
InChIKeyBKESGMCEZPPLQU-UHFFFAOYSA-N
XLogP2.31
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-acetamido-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]benzamide
CID 60584832
3,4-diethoxy-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]benzamide
CID 47799517
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3,4,5-trimethoxybenzamide
CID 60584920
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 47933212
3-(benzenesulfonamido)-N-[(4-imidazol-1-ylphenyl)methyl]benzamide
CID 30378303
3-(benzenesulfonamido)-N-[(2-imidazol-1-ylphenyl)methyl]benzamide
CID 28565306
4-acetyl-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 47737555
methyl N-[4-[[[3-(methanesulfonamido)benzoyl]amino]methyl]phenyl]carbamate
CID 55846947
N-[(3,4-dimethoxyphenyl)methyl]-3-(methanesulfonamido)benzamide
CID 38001059
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-2-methoxy-5-sulfamoylbenzamide
CID 47799498
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-4-methoxy-2-methylbenzamide
CID 136527948
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide
CID 47933184

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-(methanesulfonamido)benzamide?
The IUPAC name of N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-(methanesulfonamido)benzamide (CID 47074711) is N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-(methanesulfonamido)benzamide.
What is the SMILES notation for N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-(methanesulfonamido)benzamide?
The canonical SMILES for N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-(methanesulfonamido)benzamide is CS(=O)(=O)Nc1cccc(C(=O)NCc2ccc(-n3ccnc3)c(F)c2)c1.
What is the InChIKey of N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-(methanesulfonamido)benzamide?
The InChIKey is BKESGMCEZPPLQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O3S/c1-27(25,26)22-15-4-2-3-14(10-15)18(24)21-11-13-5-6-17(16(19)9-13)23-8-7-20-12-23/h2-10,12,22H,11H2,1H3,(H,21,24).
What are the key properties of N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-(methanesulfonamido)benzamide?
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-(methanesulfonamido)benzamide has a molecular weight of 388.42 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-(methanesulfonamido)benzamide is sourced from PubChem (CID 47074711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).