N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3,5-dimethoxybenzamide

C21H19FN2O5S — CID 1303974

IUPACN-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)c1
InChIInChI=1S/C21H19FN2O5S/c1-28-18-11-14(12-19(13-18)29-2)21(25)23-16-7-9-20(10-8-16)30(26,27)24-17-5-3-15(22)4-6-17/h3-13,24H,1-2H3,(H,23,25)
InChIKeyLGRHTYIKTRPZRF-UHFFFAOYSA-N
MW430.46 g/mol
LogP3.90
Rot. Bonds7

About N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3,5-dimethoxybenzamide

N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3,5-dimethoxybenzamide (PubChem CID 1303974) has the molecular formula C21H19FN2O5S and a molecular weight of 430.46 g/mol. Its IUPAC name is N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3,5-dimethoxybenzamide
PubChem CID1303974
Molecular FormulaC21H19FN2O5S
Molecular Weight430.46 g/mol
Exact Mass430.10
IUPAC NameN-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)c1
InChIInChI=1S/C21H19FN2O5S/c1-28-18-11-14(12-19(13-18)29-2)21(25)23-16-7-9-20(10-8-16)30(26,27)24-17-5-3-15(22)4-6-17/h3-13,24H,1-2H3,(H,23,25)
InChIKeyLGRHTYIKTRPZRF-UHFFFAOYSA-N
XLogP3.90
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4-fluoroanilino)phenyl]-3,5-dimethoxybenzamide
CID 112986846
4-[(4-fluorophenyl)sulfamoyl]-N-(4-methylphenyl)benzamide
CID 2666297
N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 2982317
N-(3-fluorophenyl)-4-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 26579550
N-[4-(difluoromethylsulfonyl)phenyl]-3,5-dimethoxybenzamide
CID 2671265
3,5-dimethoxy-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzamide
CID 1010376
N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-3,5-dimethoxybenzamide
CID 1189337
N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-6-methoxyquinoline-2-carboxamide
CID 166435654
N-(3-methoxyphenyl)-4-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 7553556
3,5-difluoro-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 24638196
4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(4-methoxyphenyl)benzamide
CID 17391179
N-[4-[(4-fluorophenyl)methylamino]phenyl]-3,5-dimethoxybenzamide
CID 112982463

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3,5-dimethoxybenzamide?
The IUPAC name of N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3,5-dimethoxybenzamide (CID 1303974) is N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)c1.
What is the InChIKey of N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3,5-dimethoxybenzamide?
The InChIKey is LGRHTYIKTRPZRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O5S/c1-28-18-11-14(12-19(13-18)29-2)21(25)23-16-7-9-20(10-8-16)30(26,27)24-17-5-3-15(22)4-6-17/h3-13,24H,1-2H3,(H,23,25).
What are the key properties of N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3,5-dimethoxybenzamide?
N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3,5-dimethoxybenzamide has a molecular weight of 430.46 g/mol, XLogP of 3.90, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 1303974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).