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

C20H21F3N2O5S — CID 146237169

IUPACN-[3-(difluoromethyl)-4-fluorophenyl]-5-[[(1S,3R)-3-hydroxycyclopentyl]sulfamoyl]-2-methoxybenzamide
SMILESCOc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](O)C2)cc1C(=O)Nc1ccc(F)c(C(F)F)c1
InChIInChI=1S/C20H21F3N2O5S/c1-30-18-7-5-14(31(28,29)25-12-2-4-13(26)8-12)10-16(18)20(27)24-11-3-6-17(21)15(9-11)19(22)23/h3,5-7,9-10,12-13,19,25-26H,2,4,8H2,1H3,(H,24,27)/t12-,13+/m0/s1
InChIKeyQSAQXCVPYGCOII-QWHCGFSZSA-N
MW458.46 g/mol
LogP3.22
Rot. Bonds7

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

N-[3-(difluoromethyl)-4-fluorophenyl]-5-[[(1S,3R)-3-hydroxycyclopentyl]sulfamoyl]-2-methoxybenzamide (PubChem CID 146237169) has the molecular formula C20H21F3N2O5S and a molecular weight of 458.46 g/mol. Its IUPAC name is N-[3-(difluoromethyl)-4-fluorophenyl]-5-[[(1S,3R)-3-hydroxycyclopentyl]sulfamoyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[3-(difluoromethyl)-4-fluorophenyl]-5-[[(1S,3R)-3-hydroxycyclopentyl]sulfamoyl]-2-methoxybenzamide
PubChem CID146237169
Molecular FormulaC20H21F3N2O5S
Molecular Weight458.46 g/mol
Exact Mass458.11
IUPAC NameN-[3-(difluoromethyl)-4-fluorophenyl]-5-[[(1S,3R)-3-hydroxycyclopentyl]sulfamoyl]-2-methoxybenzamide
SMILESCOc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](O)C2)cc1C(=O)Nc1ccc(F)c(C(F)F)c1
InChIInChI=1S/C20H21F3N2O5S/c1-30-18-7-5-14(31(28,29)25-12-2-4-13(26)8-12)10-16(18)20(27)24-11-3-6-17(21)15(9-11)19(22)23/h3,5-7,9-10,12-13,19,25-26H,2,4,8H2,1H3,(H,24,27)/t12-,13+/m0/s1
InChIKeyQSAQXCVPYGCOII-QWHCGFSZSA-N
XLogP3.22
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.46
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluorophenyl)-5-[[(1R,3S)-3-hydroxycyclopentyl]sulfamoyl]-2-methoxybenzamide
CID 146255968
N-[3-(difluoromethyl)-4-fluorophenyl]-2-methoxy-5-[[(3S)-oxan-3-yl]sulfamoyl]benzamide
CID 146237340
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-(3,5-difluorophenyl)-2-methoxy-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide
CID 146237287
N-(4-fluoro-3-methylphenyl)-3-[[(1R,3S)-3-hydroxycyclopentyl]sulfamoyl]benzamide
CID 118380733
N-(3-amino-4-methoxyphenyl)-5-(cyclopropylsulfamoyl)-2-methylbenzamide
CID 119419615
N-(3,5-dichlorophenyl)-2-methoxy-5-(oxolan-3-ylsulfamoyl)benzamide
CID 146559583
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
N-(3-chlorophenyl)-2-methoxy-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide
CID 146256158
N-(3,4-difluorophenyl)-2-methoxy-5-(3-methylbutan-2-ylsulfamoyl)benzamide
CID 118677106

Frequently Asked Questions

What is the IUPAC name of N-[3-(difluoromethyl)-4-fluorophenyl]-5-[[(1S,3R)-3-hydroxycyclopentyl]sulfamoyl]-2-methoxybenzamide?
The IUPAC name of N-[3-(difluoromethyl)-4-fluorophenyl]-5-[[(1S,3R)-3-hydroxycyclopentyl]sulfamoyl]-2-methoxybenzamide (CID 146237169) is N-[3-(difluoromethyl)-4-fluorophenyl]-5-[[(1S,3R)-3-hydroxycyclopentyl]sulfamoyl]-2-methoxybenzamide.
What is the SMILES notation for N-[3-(difluoromethyl)-4-fluorophenyl]-5-[[(1S,3R)-3-hydroxycyclopentyl]sulfamoyl]-2-methoxybenzamide?
The canonical SMILES for N-[3-(difluoromethyl)-4-fluorophenyl]-5-[[(1S,3R)-3-hydroxycyclopentyl]sulfamoyl]-2-methoxybenzamide is COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](O)C2)cc1C(=O)Nc1ccc(F)c(C(F)F)c1.
What is the InChIKey of N-[3-(difluoromethyl)-4-fluorophenyl]-5-[[(1S,3R)-3-hydroxycyclopentyl]sulfamoyl]-2-methoxybenzamide?
The InChIKey is QSAQXCVPYGCOII-QWHCGFSZSA-N. The full InChI is InChI=1S/C20H21F3N2O5S/c1-30-18-7-5-14(31(28,29)25-12-2-4-13(26)8-12)10-16(18)20(27)24-11-3-6-17(21)15(9-11)19(22)23/h3,5-7,9-10,12-13,19,25-26H,2,4,8H2,1H3,(H,24,27)/t12-,13+/m0/s1.
What are the key properties of N-[3-(difluoromethyl)-4-fluorophenyl]-5-[[(1S,3R)-3-hydroxycyclopentyl]sulfamoyl]-2-methoxybenzamide?
N-[3-(difluoromethyl)-4-fluorophenyl]-5-[[(1S,3R)-3-hydroxycyclopentyl]sulfamoyl]-2-methoxybenzamide has a molecular weight of 458.46 g/mol, XLogP of 3.22, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(difluoromethyl)-4-fluorophenyl]-5-[[(1S,3R)-3-hydroxycyclopentyl]sulfamoyl]-2-methoxybenzamide is sourced from PubChem (CID 146237169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).