N-(1-adamantylmethyl)-3,4-dichloro-2-methoxybenzenesulfonamide

C18H23Cl2NO3S — CID 3441951

IUPACN-(1-adamantylmethyl)-3,4-dichloro-2-methoxybenzenesulfonamide
SMILESCOc1c(S(=O)(=O)NCC23CC4CC(CC(C4)C2)C3)ccc(Cl)c1Cl
InChIInChI=1S/C18H23Cl2NO3S/c1-24-17-15(3-2-14(19)16(17)20)25(22,23)21-10-18-7-11-4-12(8-18)6-13(5-11)9-18/h2-3,11-13,21H,4-10H2,1H3
InChIKeyQDZIZKQVWGXGJI-UHFFFAOYSA-N
MW404.36 g/mol
LogP4.50
Rot. Bonds5

About N-(1-adamantylmethyl)-3,4-dichloro-2-methoxybenzenesulfonamide

N-(1-adamantylmethyl)-3,4-dichloro-2-methoxybenzenesulfonamide (PubChem CID 3441951) has the molecular formula C18H23Cl2NO3S and a molecular weight of 404.36 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-3,4-dichloro-2-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-3,4-dichloro-2-methoxybenzenesulfonamide
PubChem CID3441951
Molecular FormulaC18H23Cl2NO3S
Molecular Weight404.36 g/mol
Exact Mass403.08
IUPAC NameN-(1-adamantylmethyl)-3,4-dichloro-2-methoxybenzenesulfonamide
SMILESCOc1c(S(=O)(=O)NCC23CC4CC(CC(C4)C2)C3)ccc(Cl)c1Cl
InChIInChI=1S/C18H23Cl2NO3S/c1-24-17-15(3-2-14(19)16(17)20)25(22,23)21-10-18-7-11-4-12(8-18)6-13(5-11)9-18/h2-3,11-13,21H,4-10H2,1H3
InChIKeyQDZIZKQVWGXGJI-UHFFFAOYSA-N
XLogP4.50
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.36
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1-adamantylmethyl)-3,4-dichloro-2-methoxybenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-Adamantylmethyl)-4-chloro-3-methoxybenzenesulfonamide
CID 585370
N-[2-(adamantan-1-yl)ethyl]-5-chloro-2-methoxybenzene-1-sulfonamide
CID 585512
N-[2-(1-adamantyl)ethyl]-4-chloro-2,5-dimethoxybenzenesulfonamide
CID 3302395
N-[1-(adamantan-1-yl)propyl]-4-chloro-3-methoxybenzene-1-sulfonamide
CID 3942844
N-[1-(adamantan-1-yl)propyl]-5-chloro-2-methoxybenzene-1-sulfonamide
CID 3967542
1-[(4-Adamantanylpiperazinyl)sulfonyl]-3,4-dichloro-2-methoxybenzene
CID 5173346
N-[2-(adamantan-1-yl)ethyl]-4-chloro-3-methoxybenzene-1-sulfonamide
CID 585511
(Adamantanylpropyl)[(3,4-dichloro-2-methoxyphenyl)sulfonyl]amine
CID 3281063
N-[2-(adamantan-1-yl)ethyl]-3,4-dichloro-2-methoxybenzene-1-sulfonamide
CID 3631611
Benzenesulfonamide, N-(adamantan-1-yl)methyl-5-chloro-2-methoxy-
CID 4375785
N-[2-(1-adamantyloxy)ethyl]-3,4-dichloro-2-methoxybenzenesulfonamide
CID 4584451
3,4-dichloro-N-cyclohexyl-2-methoxybenzenesulfonamide
CID 935618

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-3,4-dichloro-2-methoxybenzenesulfonamide?
The IUPAC name of N-(1-adamantylmethyl)-3,4-dichloro-2-methoxybenzenesulfonamide (CID 3441951) is N-(1-adamantylmethyl)-3,4-dichloro-2-methoxybenzenesulfonamide.
What is the SMILES notation for N-(1-adamantylmethyl)-3,4-dichloro-2-methoxybenzenesulfonamide?
The canonical SMILES for N-(1-adamantylmethyl)-3,4-dichloro-2-methoxybenzenesulfonamide is COc1c(S(=O)(=O)NCC23CC4CC(CC(C4)C2)C3)ccc(Cl)c1Cl.
What is the InChIKey of N-(1-adamantylmethyl)-3,4-dichloro-2-methoxybenzenesulfonamide?
The InChIKey is QDZIZKQVWGXGJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23Cl2NO3S/c1-24-17-15(3-2-14(19)16(17)20)25(22,23)21-10-18-7-11-4-12(8-18)6-13(5-11)9-18/h2-3,11-13,21H,4-10H2,1H3.
What are the key properties of N-(1-adamantylmethyl)-3,4-dichloro-2-methoxybenzenesulfonamide?
N-(1-adamantylmethyl)-3,4-dichloro-2-methoxybenzenesulfonamide has a molecular weight of 404.36 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-3,4-dichloro-2-methoxybenzenesulfonamide is sourced from PubChem (CID 3441951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).