N-[3-[[[2-(4-fluorophenyl)acetyl]amino]carbamoyl]phenyl]methanesulfonamide

C16H16FN3O4S — CID 31726265

IUPACN-[3-[[[2-(4-fluorophenyl)acetyl]amino]carbamoyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(C(=O)NNC(=O)Cc2ccc(F)cc2)c1
InChIInChI=1S/C16H16FN3O4S/c1-25(23,24)20-14-4-2-3-12(10-14)16(22)19-18-15(21)9-11-5-7-13(17)8-6-11/h2-8,10,20H,9H2,1H3,(H,18,21)(H,19,22)
InChIKeyOPAVFMLVOFFLQN-UHFFFAOYSA-N
MW365.39 g/mol
LogP1.20
Rot. Bonds5

About N-[3-[[[2-(4-fluorophenyl)acetyl]amino]carbamoyl]phenyl]methanesulfonamide

N-[3-[[[2-(4-fluorophenyl)acetyl]amino]carbamoyl]phenyl]methanesulfonamide (PubChem CID 31726265) has the molecular formula C16H16FN3O4S and a molecular weight of 365.39 g/mol. Its IUPAC name is N-[3-[[[2-(4-fluorophenyl)acetyl]amino]carbamoyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[[[2-(4-fluorophenyl)acetyl]amino]carbamoyl]phenyl]methanesulfonamide
PubChem CID31726265
Molecular FormulaC16H16FN3O4S
Molecular Weight365.39 g/mol
Exact Mass365.08
IUPAC NameN-[3-[[[2-(4-fluorophenyl)acetyl]amino]carbamoyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(C(=O)NNC(=O)Cc2ccc(F)cc2)c1
InChIInChI=1S/C16H16FN3O4S/c1-25(23,24)20-14-4-2-3-12(10-14)16(22)19-18-15(21)9-11-5-7-13(17)8-6-11/h2-8,10,20H,9H2,1H3,(H,18,21)(H,19,22)
InChIKeyOPAVFMLVOFFLQN-UHFFFAOYSA-N
XLogP1.20
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[3-[[[2-(4-fluorophenyl)acetyl]amino]carbamoyl]phenyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-ethoxy-N-[3-[[[2-(4-fluorophenyl)acetyl]amino]carbamoyl]phenyl]benzenesulfonamide
CID 26656829
N-[3-[[[2-(4-fluorophenyl)acetyl]amino]carbamoyl]phenyl]-2,2-dimethylpropanamide
CID 35187050
tert-butyl N-[3-[[[2-(4-fluorophenyl)acetyl]amino]carbamoyl]phenyl]carbamate
CID 9161852
N-[3-[[[2-(4-methylphenyl)sulfanylacetyl]amino]carbamoyl]phenyl]methanesulfonamide
CID 31469976
N-[3-[[[2-(1-adamantyl)acetyl]amino]carbamoyl]phenyl]methanesulfonamide
CID 18107728
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-3-(methanesulfonamido)benzamide
CID 36897993
[2-(4-fluoroanilino)-2-oxoethyl] 3-(methanesulfonamido)benzoate
CID 29312667
N-[4-[[[2-(4-fluorophenyl)acetyl]amino]carbamoyl]phenyl]benzenesulfonamide
CID 46521478
N-[3-[3-(methanesulfonamido)benzoyl]phenyl]methanesulfonamide
CID 127038503
N-[3-[[[4-[(4-chloro-3-methylphenoxy)methyl]benzoyl]amino]carbamoyl]phenyl]methanesulfonamide
CID 31322107
3-(methanesulfonamido)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]benzamide
CID 24599016
N-[3-[(4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbonylamino)carbamoyl]phenyl]methanesulfonamide
CID 25444396

Frequently Asked Questions

What is the IUPAC name of N-[3-[[[2-(4-fluorophenyl)acetyl]amino]carbamoyl]phenyl]methanesulfonamide?
The IUPAC name of N-[3-[[[2-(4-fluorophenyl)acetyl]amino]carbamoyl]phenyl]methanesulfonamide (CID 31726265) is N-[3-[[[2-(4-fluorophenyl)acetyl]amino]carbamoyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-[[[2-(4-fluorophenyl)acetyl]amino]carbamoyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[3-[[[2-(4-fluorophenyl)acetyl]amino]carbamoyl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1cccc(C(=O)NNC(=O)Cc2ccc(F)cc2)c1.
What is the InChIKey of N-[3-[[[2-(4-fluorophenyl)acetyl]amino]carbamoyl]phenyl]methanesulfonamide?
The InChIKey is OPAVFMLVOFFLQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O4S/c1-25(23,24)20-14-4-2-3-12(10-14)16(22)19-18-15(21)9-11-5-7-13(17)8-6-11/h2-8,10,20H,9H2,1H3,(H,18,21)(H,19,22).
What are the key properties of N-[3-[[[2-(4-fluorophenyl)acetyl]amino]carbamoyl]phenyl]methanesulfonamide?
N-[3-[[[2-(4-fluorophenyl)acetyl]amino]carbamoyl]phenyl]methanesulfonamide has a molecular weight of 365.39 g/mol, XLogP of 1.20, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[[2-(4-fluorophenyl)acetyl]amino]carbamoyl]phenyl]methanesulfonamide is sourced from PubChem (CID 31726265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).