N-(4-chlorophenyl)-4-methoxy-6-(methylamino)-5,6,7,8-tetrahydronaphthalene-1-sulfonamide

C18H21ClN2O3S — CID 73173660

IUPACN-(4-chlorophenyl)-4-methoxy-6-(methylamino)-5,6,7,8-tetrahydronaphthalene-1-sulfonamide
SMILESCNC1CCc2c(S(=O)(=O)Nc3ccc(Cl)cc3)ccc(OC)c2C1
InChIInChI=1S/C18H21ClN2O3S/c1-20-14-7-8-15-16(11-14)17(24-2)9-10-18(15)25(22,23)21-13-5-3-12(19)4-6-13/h3-6,9-10,14,20-21H,7-8,11H2,1-2H3
InChIKeyCODJOHJVHUISNG-UHFFFAOYSA-N
MW380.90 g/mol
LogP3.23
Rot. Bonds5

About N-(4-chlorophenyl)-4-methoxy-6-(methylamino)-5,6,7,8-tetrahydronaphthalene-1-sulfonamide

N-(4-chlorophenyl)-4-methoxy-6-(methylamino)-5,6,7,8-tetrahydronaphthalene-1-sulfonamide (PubChem CID 73173660) has the molecular formula C18H21ClN2O3S and a molecular weight of 380.90 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-methoxy-6-(methylamino)-5,6,7,8-tetrahydronaphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-methoxy-6-(methylamino)-5,6,7,8-tetrahydronaphthalene-1-sulfonamide
PubChem CID73173660
Molecular FormulaC18H21ClN2O3S
Molecular Weight380.90 g/mol
Exact Mass380.10
IUPAC NameN-(4-chlorophenyl)-4-methoxy-6-(methylamino)-5,6,7,8-tetrahydronaphthalene-1-sulfonamide
SMILESCNC1CCc2c(S(=O)(=O)Nc3ccc(Cl)cc3)ccc(OC)c2C1
InChIInChI=1S/C18H21ClN2O3S/c1-20-14-7-8-15-16(11-14)17(24-2)9-10-18(15)25(22,23)21-13-5-3-12(19)4-6-13/h3-6,9-10,14,20-21H,7-8,11H2,1-2H3
InChIKeyCODJOHJVHUISNG-UHFFFAOYSA-N
XLogP3.23
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.90
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(6R)-6-(dimethylamino)-4-methoxy-N-phenyl-5,6,7,8-tetrahydronaphthalene-1-sulfonamide
CID 11999840
N-[5-[(5-chloro-2-pyridinyl)sulfamoyl]-8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-2,2,2-trifluoroacetamide
CID 76585505
N-(4-chlorophenyl)-4-methoxynaphthalene-1-sulfonamide
CID 51702411
5-methoxy-N,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 22082782
N-(4-chlorophenyl)-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 9267447
(3R)-N-(4-cyanophenyl)-5-methoxy-3-(methylamino)-3,4-dihydro-2H-chromene-8-sulfonamide
CID 11999125
N-(4-chlorophenyl)-5-fluoro-2-methoxybenzenesulfonamide
CID 41446937
N-[6-(dimethylamino)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl]-2,3,4-trifluorobenzenesulfonamide
CID 73204197
N-ethyl-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 12924823
5-chloro-N-(3,4-dimethoxyphenyl)-2-methoxybenzenesulfonamide
CID 3706982
N-(4-chlorophenyl)-3-fluoro-4-methoxybenzenesulfonamide
CID 19109264
4-chloro-N-(4-ethylphenyl)-2-methoxybenzenesulfonamide
CID 976918

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-methoxy-6-(methylamino)-5,6,7,8-tetrahydronaphthalene-1-sulfonamide?
The IUPAC name of N-(4-chlorophenyl)-4-methoxy-6-(methylamino)-5,6,7,8-tetrahydronaphthalene-1-sulfonamide (CID 73173660) is N-(4-chlorophenyl)-4-methoxy-6-(methylamino)-5,6,7,8-tetrahydronaphthalene-1-sulfonamide.
What is the SMILES notation for N-(4-chlorophenyl)-4-methoxy-6-(methylamino)-5,6,7,8-tetrahydronaphthalene-1-sulfonamide?
The canonical SMILES for N-(4-chlorophenyl)-4-methoxy-6-(methylamino)-5,6,7,8-tetrahydronaphthalene-1-sulfonamide is CNC1CCc2c(S(=O)(=O)Nc3ccc(Cl)cc3)ccc(OC)c2C1.
What is the InChIKey of N-(4-chlorophenyl)-4-methoxy-6-(methylamino)-5,6,7,8-tetrahydronaphthalene-1-sulfonamide?
The InChIKey is CODJOHJVHUISNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O3S/c1-20-14-7-8-15-16(11-14)17(24-2)9-10-18(15)25(22,23)21-13-5-3-12(19)4-6-13/h3-6,9-10,14,20-21H,7-8,11H2,1-2H3.
What are the key properties of N-(4-chlorophenyl)-4-methoxy-6-(methylamino)-5,6,7,8-tetrahydronaphthalene-1-sulfonamide?
N-(4-chlorophenyl)-4-methoxy-6-(methylamino)-5,6,7,8-tetrahydronaphthalene-1-sulfonamide has a molecular weight of 380.90 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-methoxy-6-(methylamino)-5,6,7,8-tetrahydronaphthalene-1-sulfonamide is sourced from PubChem (CID 73173660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).