N-[2-(4-fluoroanilino)-2-oxoethyl]-N,4-dimethyl-3-sulfamoylbenzamide

C17H18FN3O4S — CID 9089681

IUPACN-[2-(4-fluoroanilino)-2-oxoethyl]-N,4-dimethyl-3-sulfamoylbenzamide
SMILESCc1ccc(C(=O)N(C)CC(=O)Nc2ccc(F)cc2)cc1S(N)(=O)=O
InChIInChI=1S/C17H18FN3O4S/c1-11-3-4-12(9-15(11)26(19,24)25)17(23)21(2)10-16(22)20-14-7-5-13(18)6-8-14/h3-9H,10H2,1-2H3,(H,20,22)(H2,19,24,25)
InChIKeyCMBTXDGHGQBSCQ-UHFFFAOYSA-N
MW379.41 g/mol
LogP1.49
Rot. Bonds5

About N-[2-(4-fluoroanilino)-2-oxoethyl]-N,4-dimethyl-3-sulfamoylbenzamide

N-[2-(4-fluoroanilino)-2-oxoethyl]-N,4-dimethyl-3-sulfamoylbenzamide (PubChem CID 9089681) has the molecular formula C17H18FN3O4S and a molecular weight of 379.41 g/mol. Its IUPAC name is N-[2-(4-fluoroanilino)-2-oxoethyl]-N,4-dimethyl-3-sulfamoylbenzamide.

Molecular Properties

Compound NameN-[2-(4-fluoroanilino)-2-oxoethyl]-N,4-dimethyl-3-sulfamoylbenzamide
PubChem CID9089681
Molecular FormulaC17H18FN3O4S
Molecular Weight379.41 g/mol
Exact Mass379.10
IUPAC NameN-[2-(4-fluoroanilino)-2-oxoethyl]-N,4-dimethyl-3-sulfamoylbenzamide
SMILESCc1ccc(C(=O)N(C)CC(=O)Nc2ccc(F)cc2)cc1S(N)(=O)=O
InChIInChI=1S/C17H18FN3O4S/c1-11-3-4-12(9-15(11)26(19,24)25)17(23)21(2)10-16(22)20-14-7-5-13(18)6-8-14/h3-9H,10H2,1-2H3,(H,20,22)(H2,19,24,25)
InChIKeyCMBTXDGHGQBSCQ-UHFFFAOYSA-N
XLogP1.49
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.41
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3-sulfamoylbenzamide
CID 9493763
N-(4-fluorophenyl)-4-methyl-3-sulfamoylbenzamide
CID 9070427
N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-4-methylsulfonyl-3-nitrobenzamide
CID 9441312
N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-3-(methylsulfonylmethyl)benzamide
CID 9426942
N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-3-(methylsulfamoyl)benzamide
CID 9440801
3-acetamido-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylbenzamide
CID 9441407
N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-4-(trifluoromethyl)benzamide
CID 8503139
N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 17397187
1-(4-fluorophenyl)-3-[(4-methyl-3-sulfamoylbenzoyl)amino]thiourea
CID 9085389
4-(3,4-dimethylphenyl)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-4-oxobutanamide
CID 9426993
N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylfuran-3-carboxamide
CID 17452813
3-chloro-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-4-sulfamoylbenzamide
CID 166330937

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluoroanilino)-2-oxoethyl]-N,4-dimethyl-3-sulfamoylbenzamide?
The IUPAC name of N-[2-(4-fluoroanilino)-2-oxoethyl]-N,4-dimethyl-3-sulfamoylbenzamide (CID 9089681) is N-[2-(4-fluoroanilino)-2-oxoethyl]-N,4-dimethyl-3-sulfamoylbenzamide.
What is the SMILES notation for N-[2-(4-fluoroanilino)-2-oxoethyl]-N,4-dimethyl-3-sulfamoylbenzamide?
The canonical SMILES for N-[2-(4-fluoroanilino)-2-oxoethyl]-N,4-dimethyl-3-sulfamoylbenzamide is Cc1ccc(C(=O)N(C)CC(=O)Nc2ccc(F)cc2)cc1S(N)(=O)=O.
What is the InChIKey of N-[2-(4-fluoroanilino)-2-oxoethyl]-N,4-dimethyl-3-sulfamoylbenzamide?
The InChIKey is CMBTXDGHGQBSCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O4S/c1-11-3-4-12(9-15(11)26(19,24)25)17(23)21(2)10-16(22)20-14-7-5-13(18)6-8-14/h3-9H,10H2,1-2H3,(H,20,22)(H2,19,24,25).
What are the key properties of N-[2-(4-fluoroanilino)-2-oxoethyl]-N,4-dimethyl-3-sulfamoylbenzamide?
N-[2-(4-fluoroanilino)-2-oxoethyl]-N,4-dimethyl-3-sulfamoylbenzamide has a molecular weight of 379.41 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluoroanilino)-2-oxoethyl]-N,4-dimethyl-3-sulfamoylbenzamide is sourced from PubChem (CID 9089681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).