N-(4-fluoro-2-methoxyphenyl)-2-propan-2-ylsulfonylbenzamide

C17H18FNO4S — CID 86982656

IUPACN-(4-fluoro-2-methoxyphenyl)-2-propan-2-ylsulfonylbenzamide
SMILESCOc1cc(F)ccc1NC(=O)c1ccccc1S(=O)(=O)C(C)C
InChIInChI=1S/C17H18FNO4S/c1-11(2)24(21,22)16-7-5-4-6-13(16)17(20)19-14-9-8-12(18)10-15(14)23-3/h4-11H,1-3H3,(H,19,20)
InChIKeySWDSRIBRBMBVEZ-UHFFFAOYSA-N
MW351.40 g/mol
LogP3.27
Rot. Bonds5

About N-(4-fluoro-2-methoxyphenyl)-2-propan-2-ylsulfonylbenzamide

N-(4-fluoro-2-methoxyphenyl)-2-propan-2-ylsulfonylbenzamide (PubChem CID 86982656) has the molecular formula C17H18FNO4S and a molecular weight of 351.40 g/mol. Its IUPAC name is N-(4-fluoro-2-methoxyphenyl)-2-propan-2-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(4-fluoro-2-methoxyphenyl)-2-propan-2-ylsulfonylbenzamide
PubChem CID86982656
Molecular FormulaC17H18FNO4S
Molecular Weight351.40 g/mol
Exact Mass351.09
IUPAC NameN-(4-fluoro-2-methoxyphenyl)-2-propan-2-ylsulfonylbenzamide
SMILESCOc1cc(F)ccc1NC(=O)c1ccccc1S(=O)(=O)C(C)C
InChIInChI=1S/C17H18FNO4S/c1-11(2)24(21,22)16-7-5-4-6-13(16)17(20)19-14-9-8-12(18)10-15(14)23-3/h4-11H,1-3H3,(H,19,20)
InChIKeySWDSRIBRBMBVEZ-UHFFFAOYSA-N
XLogP3.27
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluoro-2-methoxyphenyl)-2-methylsulfonylbenzamide
CID 33283391
N-(4-fluoro-2-methoxyphenyl)-2,3-dihydroxybenzamide
CID 114344130
2-amino-4-fluoro-N-(4-fluoro-2-methoxyphenyl)benzamide
CID 63110567
3-amino-2-chloro-N-(4-fluoro-2-methoxyphenyl)benzamide
CID 115930471
N-(2,4-dimethoxyphenyl)-2-ethylsulfonylbenzamide
CID 7603183
N-(2,4-difluorophenyl)-2-methylsulfonylbenzamide
CID 7565548
2-methoxy-N-[2-methoxy-4-[3-methoxy-4-[(2-methoxybenzoyl)amino]phenyl]phenyl]benzamide
CID 1119717
N-(2,4-dimethoxyphenyl)-2-(propan-2-ylsulfonylamino)benzamide
CID 71346631
4-bromo-N-(4-fluoro-2-methoxyphenyl)-3,5-dimethoxybenzamide
CID 32610623
N-(4-fluoro-2-methoxyphenyl)-4-methylsulfonylbenzamide
CID 32608747
N-[2-(difluoromethoxy)phenyl]-5-fluoro-2-methoxybenzamide
CID 31079743
2-amino-N-(4-fluoro-2-methoxyphenyl)-4-methoxybenzamide
CID 115413055

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-methoxyphenyl)-2-propan-2-ylsulfonylbenzamide?
The IUPAC name of N-(4-fluoro-2-methoxyphenyl)-2-propan-2-ylsulfonylbenzamide (CID 86982656) is N-(4-fluoro-2-methoxyphenyl)-2-propan-2-ylsulfonylbenzamide.
What is the SMILES notation for N-(4-fluoro-2-methoxyphenyl)-2-propan-2-ylsulfonylbenzamide?
The canonical SMILES for N-(4-fluoro-2-methoxyphenyl)-2-propan-2-ylsulfonylbenzamide is COc1cc(F)ccc1NC(=O)c1ccccc1S(=O)(=O)C(C)C.
What is the InChIKey of N-(4-fluoro-2-methoxyphenyl)-2-propan-2-ylsulfonylbenzamide?
The InChIKey is SWDSRIBRBMBVEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO4S/c1-11(2)24(21,22)16-7-5-4-6-13(16)17(20)19-14-9-8-12(18)10-15(14)23-3/h4-11H,1-3H3,(H,19,20).
What are the key properties of N-(4-fluoro-2-methoxyphenyl)-2-propan-2-ylsulfonylbenzamide?
N-(4-fluoro-2-methoxyphenyl)-2-propan-2-ylsulfonylbenzamide has a molecular weight of 351.40 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-methoxyphenyl)-2-propan-2-ylsulfonylbenzamide is sourced from PubChem (CID 86982656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).