1-(4-methoxyphenyl)-N-(phenylsulfonimidoyl)methanamine

C14H16N2O2S — CID 175957833

IUPAC1-(4-methoxyphenyl)-N-(phenylsulfonimidoyl)methanamine
SMILES[H]N=S(=O)(NCc1ccc(OC)cc1)c1ccccc1
InChIInChI=1S/C14H16N2O2S/c1-18-13-9-7-12(8-10-13)11-16-19(15,17)14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H2,15,16,17)
InChIKeyCCEJHGJORFCDQS-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.81
Rot. Bonds5

About 1-(4-methoxyphenyl)-N-(phenylsulfonimidoyl)methanamine

1-(4-methoxyphenyl)-N-(phenylsulfonimidoyl)methanamine (PubChem CID 175957833) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-(phenylsulfonimidoyl)methanamine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-(phenylsulfonimidoyl)methanamine
PubChem CID175957833
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name1-(4-methoxyphenyl)-N-(phenylsulfonimidoyl)methanamine
SMILES[H]N=S(=O)(NCc1ccc(OC)cc1)c1ccccc1
InChIInChI=1S/C14H16N2O2S/c1-18-13-9-7-12(8-10-13)11-16-19(15,17)14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H2,15,16,17)
InChIKeyCCEJHGJORFCDQS-UHFFFAOYSA-N
XLogP2.81
TPSA62.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methoxyphenyl)methylsulfamoyl]-1-phenylmethanamine
CID 1475423
N-benzyl-4-methoxybenzenesulfonamide
CID 741351
1-[(E)-3-(benzenesulfonyl)prop-2-enyl]-4-methoxybenzene
CID 138974571
2-(benzenesulfonamido)-N-[(4-methoxyphenyl)methyl]acetamide
CID 112992791
1-(benzenesulfonylsulfonylmethyl)-4-methoxybenzene
CID 67568906
2,6-dichloro-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 26948085
4-N-[(4-methoxyphenyl)methyl]benzene-1,4-disulfonamide
CID 26527057
N-[3-[(4-methoxyphenyl)methylamino]quinoxalin-2-yl]benzenesulfonamide
CID 2002654
N-[(4-methoxyphenyl)methylsulfamoyl]propan-1-amine
CID 110410258
2-cyano-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 26948091
N-[(4-methoxyphenyl)methyl]-4-(methylamino)benzenesulfonamide
CID 43332057
4-(benzenesulfonamidomethyl)-N-[(4-methoxyphenyl)methyl]cyclohexane-1-carboxamide
CID 5323358

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-(phenylsulfonimidoyl)methanamine?
The IUPAC name of 1-(4-methoxyphenyl)-N-(phenylsulfonimidoyl)methanamine (CID 175957833) is 1-(4-methoxyphenyl)-N-(phenylsulfonimidoyl)methanamine.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-(phenylsulfonimidoyl)methanamine?
The canonical SMILES for 1-(4-methoxyphenyl)-N-(phenylsulfonimidoyl)methanamine is [H]N=S(=O)(NCc1ccc(OC)cc1)c1ccccc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-(phenylsulfonimidoyl)methanamine?
The InChIKey is CCEJHGJORFCDQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-18-13-9-7-12(8-10-13)11-16-19(15,17)14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H2,15,16,17).
What are the key properties of 1-(4-methoxyphenyl)-N-(phenylsulfonimidoyl)methanamine?
1-(4-methoxyphenyl)-N-(phenylsulfonimidoyl)methanamine has a molecular weight of 276.36 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-(phenylsulfonimidoyl)methanamine is sourced from PubChem (CID 175957833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).