N-(4-fluorophenyl)-5-[[(1R,3S)-3-hydroxycyclopentyl]sulfamoyl]-2-methoxybenzamide

C19H21FN2O5S — CID 146255968

IUPACN-(4-fluorophenyl)-5-[[(1R,3S)-3-hydroxycyclopentyl]sulfamoyl]-2-methoxybenzamide
SMILESCOc1ccc(S(=O)(=O)N[C@@H]2CC[C@H](O)C2)cc1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C19H21FN2O5S/c1-27-18-9-8-16(28(25,26)22-14-6-7-15(23)10-14)11-17(18)19(24)21-13-4-2-12(20)3-5-13/h2-5,8-9,11,14-15,22-23H,6-7,10H2,1H3,(H,21,24)/t14-,15+/m1/s1
InChIKeyVAGOPXFAGVQFOE-CABCVRRESA-N
MW408.45 g/mol
LogP2.28
Rot. Bonds6

About N-(4-fluorophenyl)-5-[[(1R,3S)-3-hydroxycyclopentyl]sulfamoyl]-2-methoxybenzamide

N-(4-fluorophenyl)-5-[[(1R,3S)-3-hydroxycyclopentyl]sulfamoyl]-2-methoxybenzamide (PubChem CID 146255968) has the molecular formula C19H21FN2O5S and a molecular weight of 408.45 g/mol. Its IUPAC name is N-(4-fluorophenyl)-5-[[(1R,3S)-3-hydroxycyclopentyl]sulfamoyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-5-[[(1R,3S)-3-hydroxycyclopentyl]sulfamoyl]-2-methoxybenzamide
PubChem CID146255968
Molecular FormulaC19H21FN2O5S
Molecular Weight408.45 g/mol
Exact Mass408.12
IUPAC NameN-(4-fluorophenyl)-5-[[(1R,3S)-3-hydroxycyclopentyl]sulfamoyl]-2-methoxybenzamide
SMILESCOc1ccc(S(=O)(=O)N[C@@H]2CC[C@H](O)C2)cc1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C19H21FN2O5S/c1-27-18-9-8-16(28(25,26)22-14-6-7-15(23)10-14)11-17(18)19(24)21-13-4-2-12(20)3-5-13/h2-5,8-9,11,14-15,22-23H,6-7,10H2,1H3,(H,21,24)/t14-,15+/m1/s1
InChIKeyVAGOPXFAGVQFOE-CABCVRRESA-N
XLogP2.28
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(difluoromethyl)-4-fluorophenyl]-5-[[(1S,3R)-3-hydroxycyclopentyl]sulfamoyl]-2-methoxybenzamide
CID 146237169
N-(3,5-difluorophenyl)-2-methoxy-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide
CID 146237287
N-(4-bromophenyl)-2-methoxy-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide
CID 146256157
N-(4-bromophenyl)-2-methoxy-5-(oxolan-3-ylsulfamoyl)benzamide
CID 146559539
5-(ethylsulfamoyl)-N-(4-fluorophenyl)-2-methoxybenzamide
CID 19257861
N-(4-chloro-2-fluorophenyl)-5-[(3-hydroxycyclobutyl)sulfamoyl]-2-methoxybenzamide
CID 146237146
N-(2,4-difluoro-3-methylphenyl)-5-[(3-hydroxycyclobutyl)sulfamoyl]-2-methoxybenzamide
CID 146237263
N-(2,4-difluorophenyl)-2-methoxy-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide
CID 146255929
N-[3-(difluoromethyl)-4-fluorophenyl]-2-methoxy-5-[[(3S)-oxan-3-yl]sulfamoyl]benzamide
CID 146237340
N-(3,5-dichlorophenyl)-2-methoxy-5-(oxolan-3-ylsulfamoyl)benzamide
CID 146559583
2-methoxy-5-(oxolan-3-ylsulfamoyl)-N-(2,4,5-trifluorophenyl)benzamide
CID 146559528
5-(cyclohexylsulfamoyl)-2-fluoro-N-(4-fluorophenyl)benzamide
CID 118285426

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-5-[[(1R,3S)-3-hydroxycyclopentyl]sulfamoyl]-2-methoxybenzamide?
The IUPAC name of N-(4-fluorophenyl)-5-[[(1R,3S)-3-hydroxycyclopentyl]sulfamoyl]-2-methoxybenzamide (CID 146255968) is N-(4-fluorophenyl)-5-[[(1R,3S)-3-hydroxycyclopentyl]sulfamoyl]-2-methoxybenzamide.
What is the SMILES notation for N-(4-fluorophenyl)-5-[[(1R,3S)-3-hydroxycyclopentyl]sulfamoyl]-2-methoxybenzamide?
The canonical SMILES for N-(4-fluorophenyl)-5-[[(1R,3S)-3-hydroxycyclopentyl]sulfamoyl]-2-methoxybenzamide is COc1ccc(S(=O)(=O)N[C@@H]2CC[C@H](O)C2)cc1C(=O)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-5-[[(1R,3S)-3-hydroxycyclopentyl]sulfamoyl]-2-methoxybenzamide?
The InChIKey is VAGOPXFAGVQFOE-CABCVRRESA-N. The full InChI is InChI=1S/C19H21FN2O5S/c1-27-18-9-8-16(28(25,26)22-14-6-7-15(23)10-14)11-17(18)19(24)21-13-4-2-12(20)3-5-13/h2-5,8-9,11,14-15,22-23H,6-7,10H2,1H3,(H,21,24)/t14-,15+/m1/s1.
What are the key properties of N-(4-fluorophenyl)-5-[[(1R,3S)-3-hydroxycyclopentyl]sulfamoyl]-2-methoxybenzamide?
N-(4-fluorophenyl)-5-[[(1R,3S)-3-hydroxycyclopentyl]sulfamoyl]-2-methoxybenzamide has a molecular weight of 408.45 g/mol, XLogP of 2.28, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-5-[[(1R,3S)-3-hydroxycyclopentyl]sulfamoyl]-2-methoxybenzamide is sourced from PubChem (CID 146255968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).