3-fluoro-N-[4-[[5-(methanesulfonamido)naphthalen-1-yl]sulfonylamino]phenyl]-2,2-dimethylpropanamide

C22H24FN3O5S2 — CID 10141380

IUPAC3-fluoro-N-[4-[[5-(methanesulfonamido)naphthalen-1-yl]sulfonylamino]phenyl]-2,2-dimethylpropanamide
SMILESCC(C)(CF)C(=O)Nc1ccc(NS(=O)(=O)c2cccc3c(NS(C)(=O)=O)cccc23)cc1
InChIInChI=1S/C22H24FN3O5S2/c1-22(2,14-23)21(27)24-15-10-12-16(13-11-15)25-33(30,31)20-9-5-6-17-18(20)7-4-8-19(17)26-32(3,28)29/h4-13,25-26H,14H2,1-3H3,(H,24,27)
InChIKeyDTHFNMFELMTULA-UHFFFAOYSA-N
MW493.58 g/mol
LogP3.95
Rot. Bonds8

About 3-fluoro-N-[4-[[5-(methanesulfonamido)naphthalen-1-yl]sulfonylamino]phenyl]-2,2-dimethylpropanamide

3-fluoro-N-[4-[[5-(methanesulfonamido)naphthalen-1-yl]sulfonylamino]phenyl]-2,2-dimethylpropanamide (PubChem CID 10141380) has the molecular formula C22H24FN3O5S2 and a molecular weight of 493.58 g/mol. Its IUPAC name is 3-fluoro-N-[4-[[5-(methanesulfonamido)naphthalen-1-yl]sulfonylamino]phenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-fluoro-N-[4-[[5-(methanesulfonamido)naphthalen-1-yl]sulfonylamino]phenyl]-2,2-dimethylpropanamide
PubChem CID10141380
Molecular FormulaC22H24FN3O5S2
Molecular Weight493.58 g/mol
Exact Mass493.11
IUPAC Name3-fluoro-N-[4-[[5-(methanesulfonamido)naphthalen-1-yl]sulfonylamino]phenyl]-2,2-dimethylpropanamide
SMILESCC(C)(CF)C(=O)Nc1ccc(NS(=O)(=O)c2cccc3c(NS(C)(=O)=O)cccc23)cc1
InChIInChI=1S/C22H24FN3O5S2/c1-22(2,14-23)21(27)24-15-10-12-16(13-11-15)25-33(30,31)20-9-5-6-17-18(20)7-4-8-19(17)26-32(3,28)29/h4-13,25-26H,14H2,1-3H3,(H,24,27)
InChIKeyDTHFNMFELMTULA-UHFFFAOYSA-N
XLogP3.95
TPSA121.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.58
LogP ≤ 53.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-fluoro-2,2-dimethyl-N-[4-[[5-(4,4,4-trifluorobutylsulfonylamino)naphthalen-1-yl]sulfonylamino]phenyl]propanamide
CID 142040386
3-fluoro-N-[4-[(6-formylnaphthalen-1-yl)sulfonylamino]phenyl]-2,2-dimethylpropanamide
CID 11396239
3-fluoro-2,2-dimethyl-N-[4-[[4-(1H-pyrrol-2-yl)naphthalen-1-yl]sulfonylamino]phenyl]propanamide
CID 142040416
5-[[4-[(3-chloro-2,2-dimethylpropanoyl)amino]phenyl]sulfamoyl]naphthalene-1-carboxylic acid
CID 11155424
2,2-dimethyl-N-[4-[[5-(2-morpholin-4-ylethylamino)naphthalen-1-yl]sulfonylamino]phenyl]propanamide
CID 142040370
2-(2-methoxyethoxy)ethyl N-[5-[[4-(2,2-dimethylpropanoylamino)phenyl]sulfamoyl]naphthalen-1-yl]carbamate
CID 142040330
N-[4-[[5-(4-ethylpiperazin-1-yl)naphthalen-1-yl]sulfonylamino]phenyl]-3-hydroxy-2,2-dimethylpropanamide
CID 142040366
pyridin-4-ylmethyl N-[5-[[4-(2,2-dimethylpropanoylamino)phenyl]sulfamoyl]naphthalen-1-yl]carbamate
CID 15523590
N-[4-[(2-aminophenyl)sulfonylamino]phenyl]-3-chloro-2,2-dimethylpropanamide
CID 142036795
N-[4-[[5-(dibenzylamino)naphthalen-1-yl]sulfonylamino]phenyl]-2,2-dimethylpropanamide
CID 59900306
2,2-dimethyl-N-[4-[[2-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]propanamide
CID 35185568
3-hydroxy-N-[4-[[4-[1-(1-hydroxyethyl)piperidin-4-yl]naphthalen-1-yl]sulfonylamino]phenyl]-2,2-dimethylpropanamide
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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[4-[[5-(methanesulfonamido)naphthalen-1-yl]sulfonylamino]phenyl]-2,2-dimethylpropanamide?
The IUPAC name of 3-fluoro-N-[4-[[5-(methanesulfonamido)naphthalen-1-yl]sulfonylamino]phenyl]-2,2-dimethylpropanamide (CID 10141380) is 3-fluoro-N-[4-[[5-(methanesulfonamido)naphthalen-1-yl]sulfonylamino]phenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-fluoro-N-[4-[[5-(methanesulfonamido)naphthalen-1-yl]sulfonylamino]phenyl]-2,2-dimethylpropanamide?
The canonical SMILES for 3-fluoro-N-[4-[[5-(methanesulfonamido)naphthalen-1-yl]sulfonylamino]phenyl]-2,2-dimethylpropanamide is CC(C)(CF)C(=O)Nc1ccc(NS(=O)(=O)c2cccc3c(NS(C)(=O)=O)cccc23)cc1.
What is the InChIKey of 3-fluoro-N-[4-[[5-(methanesulfonamido)naphthalen-1-yl]sulfonylamino]phenyl]-2,2-dimethylpropanamide?
The InChIKey is DTHFNMFELMTULA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O5S2/c1-22(2,14-23)21(27)24-15-10-12-16(13-11-15)25-33(30,31)20-9-5-6-17-18(20)7-4-8-19(17)26-32(3,28)29/h4-13,25-26H,14H2,1-3H3,(H,24,27).
What are the key properties of 3-fluoro-N-[4-[[5-(methanesulfonamido)naphthalen-1-yl]sulfonylamino]phenyl]-2,2-dimethylpropanamide?
3-fluoro-N-[4-[[5-(methanesulfonamido)naphthalen-1-yl]sulfonylamino]phenyl]-2,2-dimethylpropanamide has a molecular weight of 493.58 g/mol, XLogP of 3.95, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[4-[[5-(methanesulfonamido)naphthalen-1-yl]sulfonylamino]phenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 10141380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).