N-(4-bromo-3-fluorophenyl)-5-(dimethylamino)naphthalene-1-sulfonamide

C18H16BrFN2O2S — CID 4658708

IUPACN-(4-bromo-3-fluorophenyl)-5-(dimethylamino)naphthalene-1-sulfonamide
SMILESCN(C)c1cccc2c(S(=O)(=O)Nc3ccc(Br)c(F)c3)cccc12
InChIInChI=1S/C18H16BrFN2O2S/c1-22(2)17-7-3-6-14-13(17)5-4-8-18(14)25(23,24)21-12-9-10-15(19)16(20)11-12/h3-11,21H,1-2H3
InChIKeyBSBDZKUULJPYOC-UHFFFAOYSA-N
MW423.31 g/mol
LogP4.61
Rot. Bonds4

About N-(4-bromo-3-fluorophenyl)-5-(dimethylamino)naphthalene-1-sulfonamide

N-(4-bromo-3-fluorophenyl)-5-(dimethylamino)naphthalene-1-sulfonamide (PubChem CID 4658708) has the molecular formula C18H16BrFN2O2S and a molecular weight of 423.31 g/mol. Its IUPAC name is N-(4-bromo-3-fluorophenyl)-5-(dimethylamino)naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-(4-bromo-3-fluorophenyl)-5-(dimethylamino)naphthalene-1-sulfonamide
PubChem CID4658708
Molecular FormulaC18H16BrFN2O2S
Molecular Weight423.31 g/mol
Exact Mass422.01
IUPAC NameN-(4-bromo-3-fluorophenyl)-5-(dimethylamino)naphthalene-1-sulfonamide
SMILESCN(C)c1cccc2c(S(=O)(=O)Nc3ccc(Br)c(F)c3)cccc12
InChIInChI=1S/C18H16BrFN2O2S/c1-22(2)17-7-3-6-14-13(17)5-4-8-18(14)25(23,24)21-12-9-10-15(19)16(20)11-12/h3-11,21H,1-2H3
InChIKeyBSBDZKUULJPYOC-UHFFFAOYSA-N
XLogP4.61
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.31
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-formylphenyl)-5-(dimethylamino)naphthalene-1-sulfonamide
CID 142053492
[4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]phenyl]boronic acid
CID 15345457
4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]benzoic acid
CID 15839021
CID 57189636
CID 57189636
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-bromo-N-(4-bromophenyl)-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]benzamide
CID 10282258
N-[4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]phenyl]-1-fluorocyclopropane-1-carboxamide
CID 59900335
2-bromo-N-(4-bromo-3-fluorophenyl)-4-methylbenzenesulfonamide
CID 65436218
N-(5-bromo-3-methyl-2-pyridinyl)-5-(dimethylamino)naphthalene-1-sulfonamide
CID 10645779
5-(dimethylamino)-N-(2-hydroxyphenyl)naphthalene-1-sulfonamide
CID 25048383
5-(dimethylamino)-N-[2-fluoro-3-(trifluoromethyl)phenyl]naphthalene-1-sulfonamide
CID 3348052

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-fluorophenyl)-5-(dimethylamino)naphthalene-1-sulfonamide?
The IUPAC name of N-(4-bromo-3-fluorophenyl)-5-(dimethylamino)naphthalene-1-sulfonamide (CID 4658708) is N-(4-bromo-3-fluorophenyl)-5-(dimethylamino)naphthalene-1-sulfonamide.
What is the SMILES notation for N-(4-bromo-3-fluorophenyl)-5-(dimethylamino)naphthalene-1-sulfonamide?
The canonical SMILES for N-(4-bromo-3-fluorophenyl)-5-(dimethylamino)naphthalene-1-sulfonamide is CN(C)c1cccc2c(S(=O)(=O)Nc3ccc(Br)c(F)c3)cccc12.
What is the InChIKey of N-(4-bromo-3-fluorophenyl)-5-(dimethylamino)naphthalene-1-sulfonamide?
The InChIKey is BSBDZKUULJPYOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrFN2O2S/c1-22(2)17-7-3-6-14-13(17)5-4-8-18(14)25(23,24)21-12-9-10-15(19)16(20)11-12/h3-11,21H,1-2H3.
What are the key properties of N-(4-bromo-3-fluorophenyl)-5-(dimethylamino)naphthalene-1-sulfonamide?
N-(4-bromo-3-fluorophenyl)-5-(dimethylamino)naphthalene-1-sulfonamide has a molecular weight of 423.31 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-fluorophenyl)-5-(dimethylamino)naphthalene-1-sulfonamide is sourced from PubChem (CID 4658708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).