N-[4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]phenyl]-1-fluorocyclopropane-1-carboxamide

C22H22FN3O3S — CID 59900335

IUPACN-[4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]phenyl]-1-fluorocyclopropane-1-carboxamide
SMILESCN(C)c1cccc2c(S(=O)(=O)Nc3ccc(NC(=O)C4(F)CC4)cc3)cccc12
InChIInChI=1S/C22H22FN3O3S/c1-26(2)19-7-3-6-18-17(19)5-4-8-20(18)30(28,29)25-16-11-9-15(10-12-16)24-21(27)22(23)13-14-22/h3-12,25H,13-14H2,1-2H3,(H,24,27)
InChIKeyUPCPTGFBLTZKAC-UHFFFAOYSA-N
MW427.50 g/mol
LogP4.15
Rot. Bonds6

About N-[4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]phenyl]-1-fluorocyclopropane-1-carboxamide

N-[4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]phenyl]-1-fluorocyclopropane-1-carboxamide (PubChem CID 59900335) has the molecular formula C22H22FN3O3S and a molecular weight of 427.50 g/mol. Its IUPAC name is N-[4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]phenyl]-1-fluorocyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]phenyl]-1-fluorocyclopropane-1-carboxamide
PubChem CID59900335
Molecular FormulaC22H22FN3O3S
Molecular Weight427.50 g/mol
Exact Mass427.14
IUPAC NameN-[4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]phenyl]-1-fluorocyclopropane-1-carboxamide
SMILESCN(C)c1cccc2c(S(=O)(=O)Nc3ccc(NC(=O)C4(F)CC4)cc3)cccc12
InChIInChI=1S/C22H22FN3O3S/c1-26(2)19-7-3-6-18-17(19)5-4-8-20(18)30(28,29)25-16-11-9-15(10-12-16)24-21(27)22(23)13-14-22/h3-12,25H,13-14H2,1-2H3,(H,24,27)
InChIKeyUPCPTGFBLTZKAC-UHFFFAOYSA-N
XLogP4.15
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.50
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]phenyl]-1-methylcyclopropane-1-carboxamide
CID 59900326
4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]benzoic acid
CID 15839021
[4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]phenyl]boronic acid
CID 15345457
N-[4-(1-aminoethyl)phenyl]-5-(dimethylamino)naphthalene-1-sulfonamide
CID 102078919
N-(6-chloro-3-pyridinyl)-5-(dimethylamino)naphthalene-1-sulfonamide
CID 11792960
5-(dimethylamino)-N-(2-hydroxyphenyl)naphthalene-1-sulfonamide
CID 25048383
N-[2-(diethylamino)ethyl]-4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]benzamide
CID 54255975
N-(4-bromo-3-fluorophenyl)-5-(dimethylamino)naphthalene-1-sulfonamide
CID 4658708
5-bromo-N-(4-bromophenyl)-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]benzamide
CID 10282258
N-[4-[[5-(dibenzylamino)naphthalen-1-yl]sulfonylamino]phenyl]-2,2-dimethylpropanamide
CID 59900306
5-(dimethylamino)-N-[4-(thiadiazol-4-yl)phenyl]naphthalene-1-sulfonamide
CID 3271732
5-(dimethylamino)-N-(2-oxoethyl)naphthalene-1-sulfonamide
CID 18702175

Frequently Asked Questions

What is the IUPAC name of N-[4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]phenyl]-1-fluorocyclopropane-1-carboxamide?
The IUPAC name of N-[4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]phenyl]-1-fluorocyclopropane-1-carboxamide (CID 59900335) is N-[4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]phenyl]-1-fluorocyclopropane-1-carboxamide.
What is the SMILES notation for N-[4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]phenyl]-1-fluorocyclopropane-1-carboxamide?
The canonical SMILES for N-[4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]phenyl]-1-fluorocyclopropane-1-carboxamide is CN(C)c1cccc2c(S(=O)(=O)Nc3ccc(NC(=O)C4(F)CC4)cc3)cccc12.
What is the InChIKey of N-[4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]phenyl]-1-fluorocyclopropane-1-carboxamide?
The InChIKey is UPCPTGFBLTZKAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O3S/c1-26(2)19-7-3-6-18-17(19)5-4-8-20(18)30(28,29)25-16-11-9-15(10-12-16)24-21(27)22(23)13-14-22/h3-12,25H,13-14H2,1-2H3,(H,24,27).
What are the key properties of N-[4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]phenyl]-1-fluorocyclopropane-1-carboxamide?
N-[4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]phenyl]-1-fluorocyclopropane-1-carboxamide has a molecular weight of 427.50 g/mol, XLogP of 4.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]phenyl]-1-fluorocyclopropane-1-carboxamide is sourced from PubChem (CID 59900335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).