N-(2,4-difluoro-5-methylphenyl)-3-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide

C18H18F2N2O4S — CID 118396952

IUPACN-(2,4-difluoro-5-methylphenyl)-3-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide
SMILESCc1cc(NC(=O)c2cccc(S(=O)(=O)N[C@H]3CCOC3)c2)c(F)cc1F
InChIInChI=1S/C18H18F2N2O4S/c1-11-7-17(16(20)9-15(11)19)21-18(23)12-3-2-4-14(8-12)27(24,25)22-13-5-6-26-10-13/h2-4,7-9,13,22H,5-6,10H2,1H3,(H,21,23)/t13-/m0/s1
InChIKeyWHIMGVDTCWHWSS-ZDUSSCGKSA-N
MW396.42 g/mol
LogP2.59
Rot. Bonds5

About N-(2,4-difluoro-5-methylphenyl)-3-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide

N-(2,4-difluoro-5-methylphenyl)-3-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide (PubChem CID 118396952) has the molecular formula C18H18F2N2O4S and a molecular weight of 396.42 g/mol. Its IUPAC name is N-(2,4-difluoro-5-methylphenyl)-3-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(2,4-difluoro-5-methylphenyl)-3-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide
PubChem CID118396952
Molecular FormulaC18H18F2N2O4S
Molecular Weight396.42 g/mol
Exact Mass396.10
IUPAC NameN-(2,4-difluoro-5-methylphenyl)-3-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide
SMILESCc1cc(NC(=O)c2cccc(S(=O)(=O)N[C@H]3CCOC3)c2)c(F)cc1F
InChIInChI=1S/C18H18F2N2O4S/c1-11-7-17(16(20)9-15(11)19)21-18(23)12-3-2-4-14(8-12)27(24,25)22-13-5-6-26-10-13/h2-4,7-9,13,22H,5-6,10H2,1H3,(H,21,23)/t13-/m0/s1
InChIKeyWHIMGVDTCWHWSS-ZDUSSCGKSA-N
XLogP2.59
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.42
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(oxolan-3-ylsulfamoyl)benzoic acid
CID 80717368
N-(5-chloro-2-fluorophenyl)-3-(cyclopropylsulfamoyl)benzamide
CID 94006212
3-fluoro-N-(4-fluoro-3-methylphenyl)-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide
CID 90075345
3-(cyclopropylsulfamoyl)-N-(2,3-dimethylphenyl)benzamide
CID 30856229
3-[[(3R)-oxolan-3-yl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 99819133
2-methoxy-5-(oxolan-3-ylsulfamoyl)-N-(2,4,5-trifluorophenyl)benzamide
CID 146559528
5-[[3-(cyclopentylsulfamoyl)benzoyl]amino]-2,4-difluorobenzamide
CID 56570757
3-(cyclopentylsulfamoyl)-N-(2-fluorophenyl)benzamide
CID 109063181
N-(4-fluoro-3-methylphenyl)-3-[[(1R,3S)-3-hydroxycyclopentyl]sulfamoyl]benzamide
CID 118380733
3-hydroxy-N-(oxolan-3-yl)benzenesulfonamide
CID 81258676
N-(2,4-difluorophenyl)-2-methoxy-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide
CID 146255929
N-(2-fluorophenyl)-2-methoxy-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide
CID 146256155

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluoro-5-methylphenyl)-3-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide?
The IUPAC name of N-(2,4-difluoro-5-methylphenyl)-3-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide (CID 118396952) is N-(2,4-difluoro-5-methylphenyl)-3-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide.
What is the SMILES notation for N-(2,4-difluoro-5-methylphenyl)-3-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide?
The canonical SMILES for N-(2,4-difluoro-5-methylphenyl)-3-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide is Cc1cc(NC(=O)c2cccc(S(=O)(=O)N[C@H]3CCOC3)c2)c(F)cc1F.
What is the InChIKey of N-(2,4-difluoro-5-methylphenyl)-3-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide?
The InChIKey is WHIMGVDTCWHWSS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H18F2N2O4S/c1-11-7-17(16(20)9-15(11)19)21-18(23)12-3-2-4-14(8-12)27(24,25)22-13-5-6-26-10-13/h2-4,7-9,13,22H,5-6,10H2,1H3,(H,21,23)/t13-/m0/s1.
What are the key properties of N-(2,4-difluoro-5-methylphenyl)-3-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide?
N-(2,4-difluoro-5-methylphenyl)-3-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide has a molecular weight of 396.42 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluoro-5-methylphenyl)-3-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide is sourced from PubChem (CID 118396952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).