N-(4-chlorophenyl)-5-(dimethylamino)naphthalene-1-sulfonamide

C18H17ClN2O2S — CID 3847484

IUPACN-(4-chlorophenyl)-5-(dimethylamino)naphthalene-1-sulfonamide
SMILESCN(C)c1cccc2c(S(=O)(=O)Nc3ccc(Cl)cc3)cccc12
InChIInChI=1S/C18H17ClN2O2S/c1-21(2)17-7-3-6-16-15(17)5-4-8-18(16)24(22,23)20-14-11-9-13(19)10-12-14/h3-12,20H,1-2H3
InChIKeyTWRCAICAMBKPHB-UHFFFAOYSA-N
MW360.87 g/mol
LogP4.36
Rot. Bonds4

About N-(4-chlorophenyl)-5-(dimethylamino)naphthalene-1-sulfonamide

N-(4-chlorophenyl)-5-(dimethylamino)naphthalene-1-sulfonamide (PubChem CID 3847484) has the molecular formula C18H17ClN2O2S and a molecular weight of 360.87 g/mol. Its IUPAC name is N-(4-chlorophenyl)-5-(dimethylamino)naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-5-(dimethylamino)naphthalene-1-sulfonamide
PubChem CID3847484
Molecular FormulaC18H17ClN2O2S
Molecular Weight360.87 g/mol
Exact Mass360.07
IUPAC NameN-(4-chlorophenyl)-5-(dimethylamino)naphthalene-1-sulfonamide
SMILESCN(C)c1cccc2c(S(=O)(=O)Nc3ccc(Cl)cc3)cccc12
InChIInChI=1S/C18H17ClN2O2S/c1-21(2)17-7-3-6-16-15(17)5-4-8-18(16)24(22,23)20-14-11-9-13(19)10-12-14/h3-12,20H,1-2H3
InChIKeyTWRCAICAMBKPHB-UHFFFAOYSA-N
XLogP4.36
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.87
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-5-(dimethylamino)naphthalene-1-sulfonamide?
The IUPAC name of N-(4-chlorophenyl)-5-(dimethylamino)naphthalene-1-sulfonamide (CID 3847484) is N-(4-chlorophenyl)-5-(dimethylamino)naphthalene-1-sulfonamide.
What is the SMILES notation for N-(4-chlorophenyl)-5-(dimethylamino)naphthalene-1-sulfonamide?
The canonical SMILES for N-(4-chlorophenyl)-5-(dimethylamino)naphthalene-1-sulfonamide is CN(C)c1cccc2c(S(=O)(=O)Nc3ccc(Cl)cc3)cccc12.
What is the InChIKey of N-(4-chlorophenyl)-5-(dimethylamino)naphthalene-1-sulfonamide?
The InChIKey is TWRCAICAMBKPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O2S/c1-21(2)17-7-3-6-16-15(17)5-4-8-18(16)24(22,23)20-14-11-9-13(19)10-12-14/h3-12,20H,1-2H3.
What are the key properties of N-(4-chlorophenyl)-5-(dimethylamino)naphthalene-1-sulfonamide?
N-(4-chlorophenyl)-5-(dimethylamino)naphthalene-1-sulfonamide has a molecular weight of 360.87 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-5-(dimethylamino)naphthalene-1-sulfonamide is sourced from PubChem (CID 3847484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).