N-ethyl-N-[(3-fluorophenyl)methyl]-4-(propan-2-ylsulfamoyl)benzamide

C19H23FN2O3S — CID 27861535

IUPACN-ethyl-N-[(3-fluorophenyl)methyl]-4-(propan-2-ylsulfamoyl)benzamide
SMILESCCN(Cc1cccc(F)c1)C(=O)c1ccc(S(=O)(=O)NC(C)C)cc1
InChIInChI=1S/C19H23FN2O3S/c1-4-22(13-15-6-5-7-17(20)12-15)19(23)16-8-10-18(11-9-16)26(24,25)21-14(2)3/h5-12,14,21H,4,13H2,1-3H3
InChIKeyAQHGEXAEOYRRSZ-UHFFFAOYSA-N
MW378.47 g/mol
LogP3.17
Rot. Bonds7

About N-ethyl-N-[(3-fluorophenyl)methyl]-4-(propan-2-ylsulfamoyl)benzamide

N-ethyl-N-[(3-fluorophenyl)methyl]-4-(propan-2-ylsulfamoyl)benzamide (PubChem CID 27861535) has the molecular formula C19H23FN2O3S and a molecular weight of 378.47 g/mol. Its IUPAC name is N-ethyl-N-[(3-fluorophenyl)methyl]-4-(propan-2-ylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-ethyl-N-[(3-fluorophenyl)methyl]-4-(propan-2-ylsulfamoyl)benzamide
PubChem CID27861535
Molecular FormulaC19H23FN2O3S
Molecular Weight378.47 g/mol
Exact Mass378.14
IUPAC NameN-ethyl-N-[(3-fluorophenyl)methyl]-4-(propan-2-ylsulfamoyl)benzamide
SMILESCCN(Cc1cccc(F)c1)C(=O)c1ccc(S(=O)(=O)NC(C)C)cc1
InChIInChI=1S/C19H23FN2O3S/c1-4-22(13-15-6-5-7-17(20)12-15)19(23)16-8-10-18(11-9-16)26(24,25)21-14(2)3/h5-12,14,21H,4,13H2,1-3H3
InChIKeyAQHGEXAEOYRRSZ-UHFFFAOYSA-N
XLogP3.17
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-4-[(3-fluorophenyl)sulfamoyl]benzamide
CID 47946318
N-ethyl-N-[(3-fluorophenyl)methyl]-4-methylsulfanylbenzamide
CID 78800898
N-[(3,4-dichlorophenyl)methyl]-N-ethyl-3-(propan-2-ylsulfamoyl)benzamide
CID 55915255
N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 18136198
N-[2-(dimethylamino)ethyl]-N-[(3-fluorophenyl)methyl]-4-methylsulfonylbenzamide
CID 51127416
methyl 3-[benzyl-[4-(propan-2-ylsulfamoyl)benzoyl]amino]propanoate
CID 55513252
3-amino-N-ethyl-4-fluoro-N-[(3-fluorophenyl)methyl]benzamide
CID 61138218
3-(azepan-1-ylsulfonyl)-N-ethyl-N-[(3-fluorophenyl)methyl]benzamide
CID 43028012
4-chloro-3-(dimethylsulfamoyl)-N-ethyl-N-[(3-fluorophenyl)methyl]benzamide
CID 51189994
4-bromo-3-chloro-N-ethyl-N-[(3-fluorophenyl)methyl]benzamide
CID 81294804
N-ethyl-N-[(3-fluorophenyl)methyl]-3-methoxybenzamide
CID 78800954
(2R)-2-amino-N-ethyl-N-[(3-fluorophenyl)methyl]propanamide
CID 78973383

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(3-fluorophenyl)methyl]-4-(propan-2-ylsulfamoyl)benzamide?
The IUPAC name of N-ethyl-N-[(3-fluorophenyl)methyl]-4-(propan-2-ylsulfamoyl)benzamide (CID 27861535) is N-ethyl-N-[(3-fluorophenyl)methyl]-4-(propan-2-ylsulfamoyl)benzamide.
What is the SMILES notation for N-ethyl-N-[(3-fluorophenyl)methyl]-4-(propan-2-ylsulfamoyl)benzamide?
The canonical SMILES for N-ethyl-N-[(3-fluorophenyl)methyl]-4-(propan-2-ylsulfamoyl)benzamide is CCN(Cc1cccc(F)c1)C(=O)c1ccc(S(=O)(=O)NC(C)C)cc1.
What is the InChIKey of N-ethyl-N-[(3-fluorophenyl)methyl]-4-(propan-2-ylsulfamoyl)benzamide?
The InChIKey is AQHGEXAEOYRRSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O3S/c1-4-22(13-15-6-5-7-17(20)12-15)19(23)16-8-10-18(11-9-16)26(24,25)21-14(2)3/h5-12,14,21H,4,13H2,1-3H3.
What are the key properties of N-ethyl-N-[(3-fluorophenyl)methyl]-4-(propan-2-ylsulfamoyl)benzamide?
N-ethyl-N-[(3-fluorophenyl)methyl]-4-(propan-2-ylsulfamoyl)benzamide has a molecular weight of 378.47 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(3-fluorophenyl)methyl]-4-(propan-2-ylsulfamoyl)benzamide is sourced from PubChem (CID 27861535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).