N,N-dimethyl-4-[(Z)-C-methyl-N-(naphthalen-1-ylmethoxy)carbonimidoyl]benzenesulfonamide

C21H22N2O3S — CID 6252655

IUPACN,N-dimethyl-4-[(Z)-C-methyl-N-(naphthalen-1-ylmethoxy)carbonimidoyl]benzenesulfonamide
SMILESC/C(=N/OCc1cccc2ccccc12)c1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C21H22N2O3S/c1-16(17-11-13-20(14-12-17)27(24,25)23(2)3)22-26-15-19-9-6-8-18-7-4-5-10-21(18)19/h4-14H,15H2,1-3H3/b22-16-
InChIKeyGUTXXJKRASHKFU-JWGURIENSA-N
MW382.49 g/mol
LogP4.03
Rot. Bonds6

About N,N-dimethyl-4-[(Z)-C-methyl-N-(naphthalen-1-ylmethoxy)carbonimidoyl]benzenesulfonamide

N,N-dimethyl-4-[(Z)-C-methyl-N-(naphthalen-1-ylmethoxy)carbonimidoyl]benzenesulfonamide (PubChem CID 6252655) has the molecular formula C21H22N2O3S and a molecular weight of 382.49 g/mol. Its IUPAC name is N,N-dimethyl-4-[(Z)-C-methyl-N-(naphthalen-1-ylmethoxy)carbonimidoyl]benzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[(Z)-C-methyl-N-(naphthalen-1-ylmethoxy)carbonimidoyl]benzenesulfonamide
PubChem CID6252655
Molecular FormulaC21H22N2O3S
Molecular Weight382.49 g/mol
Exact Mass382.14
IUPAC NameN,N-dimethyl-4-[(Z)-C-methyl-N-(naphthalen-1-ylmethoxy)carbonimidoyl]benzenesulfonamide
SMILESC/C(=N/OCc1cccc2ccccc12)c1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C21H22N2O3S/c1-16(17-11-13-20(14-12-17)27(24,25)23(2)3)22-26-15-19-9-6-8-18-7-4-5-10-21(18)19/h4-14H,15H2,1-3H3/b22-16-
InChIKeyGUTXXJKRASHKFU-JWGURIENSA-N
XLogP4.03
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[(Z)-C-methyl-N-(naphthalen-1-ylmethoxy)carbonimidoyl]benzenesulfonamide?
The IUPAC name of N,N-dimethyl-4-[(Z)-C-methyl-N-(naphthalen-1-ylmethoxy)carbonimidoyl]benzenesulfonamide (CID 6252655) is N,N-dimethyl-4-[(Z)-C-methyl-N-(naphthalen-1-ylmethoxy)carbonimidoyl]benzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-4-[(Z)-C-methyl-N-(naphthalen-1-ylmethoxy)carbonimidoyl]benzenesulfonamide?
The canonical SMILES for N,N-dimethyl-4-[(Z)-C-methyl-N-(naphthalen-1-ylmethoxy)carbonimidoyl]benzenesulfonamide is C/C(=N/OCc1cccc2ccccc12)c1ccc(S(=O)(=O)N(C)C)cc1.
What is the InChIKey of N,N-dimethyl-4-[(Z)-C-methyl-N-(naphthalen-1-ylmethoxy)carbonimidoyl]benzenesulfonamide?
The InChIKey is GUTXXJKRASHKFU-JWGURIENSA-N. The full InChI is InChI=1S/C21H22N2O3S/c1-16(17-11-13-20(14-12-17)27(24,25)23(2)3)22-26-15-19-9-6-8-18-7-4-5-10-21(18)19/h4-14H,15H2,1-3H3/b22-16-.
What are the key properties of N,N-dimethyl-4-[(Z)-C-methyl-N-(naphthalen-1-ylmethoxy)carbonimidoyl]benzenesulfonamide?
N,N-dimethyl-4-[(Z)-C-methyl-N-(naphthalen-1-ylmethoxy)carbonimidoyl]benzenesulfonamide has a molecular weight of 382.49 g/mol, XLogP of 4.03, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[(Z)-C-methyl-N-(naphthalen-1-ylmethoxy)carbonimidoyl]benzenesulfonamide is sourced from PubChem (CID 6252655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).