(1Z)-2-amino-2-imino-N-[3-[(4-methoxyphenyl)sulfamoyl]anilino]ethanimidoyl cyanide

C16H16N6O3S — CID 172978050

IUPAC(1Z)-2-amino-2-imino-N-[3-[(4-methoxyphenyl)sulfamoyl]anilino]ethanimidoyl cyanide
SMILES[H]/N=C(N)/C(C#N)=N/Nc1cccc(S(=O)(=O)Nc2ccc(OC)cc2)c1
InChIInChI=1S/C16H16N6O3S/c1-25-13-7-5-11(6-8-13)22-26(23,24)14-4-2-3-12(9-14)20-21-15(10-17)16(18)19/h2-9,20,22H,1H3,(H3,18,19)/b21-15+
InChIKeyZJOAUOOSYCQHIL-RCCKNPSSSA-N
MW372.41 g/mol
LogP1.72
Rot. Bonds7

About (1Z)-2-amino-2-imino-N-[3-[(4-methoxyphenyl)sulfamoyl]anilino]ethanimidoyl cyanide

(1Z)-2-amino-2-imino-N-[3-[(4-methoxyphenyl)sulfamoyl]anilino]ethanimidoyl cyanide (PubChem CID 172978050) has the molecular formula C16H16N6O3S and a molecular weight of 372.41 g/mol. Its IUPAC name is (1Z)-2-amino-2-imino-N-[3-[(4-methoxyphenyl)sulfamoyl]anilino]ethanimidoyl cyanide.

Molecular Properties

Compound Name(1Z)-2-amino-2-imino-N-[3-[(4-methoxyphenyl)sulfamoyl]anilino]ethanimidoyl cyanide
PubChem CID172978050
Molecular FormulaC16H16N6O3S
Molecular Weight372.41 g/mol
Exact Mass372.10
IUPAC Name(1Z)-2-amino-2-imino-N-[3-[(4-methoxyphenyl)sulfamoyl]anilino]ethanimidoyl cyanide
SMILES[H]/N=C(N)/C(C#N)=N/Nc1cccc(S(=O)(=O)Nc2ccc(OC)cc2)c1
InChIInChI=1S/C16H16N6O3S/c1-25-13-7-5-11(6-8-13)22-26(23,24)14-4-2-3-12(9-14)20-21-15(10-17)16(18)19/h2-9,20,22H,1H3,(H3,18,19)/b21-15+
InChIKeyZJOAUOOSYCQHIL-RCCKNPSSSA-N
XLogP1.72
TPSA153.45 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.41
LogP ≤ 51.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_imine_A(37)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(1Z)-2-amino-N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]anilino]-2-iminoethanimidoyl cyanide
CID 172977921
(1Z)-2-amino-2-imino-N-[3-[(4-methoxyphenyl)carbamoyl]anilino]ethanimidoyl cyanide
CID 172976313
(1Z)-2-amino-2-imino-N-(3-propan-2-ylsulfonylanilino)ethanimidoyl cyanide
CID 172979078
(1Z)-2-amino-2-imino-N-[4-(4-methoxyphenoxy)anilino]ethanimidoyl cyanide
CID 172932012
(1Z)-2-amino-N-[2-hydroxy-5-[[3-(methanesulfonamido)phenyl]sulfamoyl]anilino]-2-iminoethanimidoyl cyanide
CID 172978978
(1Z)-2-amino-N-[3-(4-chlorophenyl)sulfonyl-5-methoxyanilino]-2-iminoethanimidoyl cyanide
CID 172978245
(1Z)-2-amino-2-imino-N-(3-propan-2-ylanilino)ethanimidoyl cyanide
CID 172980200
5-[(2Z)-2-(2-amino-1-cyano-2-iminoethylidene)hydrazinyl]-2-methoxybenzoic acid
CID 172976196
4-[(2Z)-2-(2-amino-1-cyano-2-iminoethylidene)hydrazinyl]-2-methoxybenzoic acid
CID 172931853
ethyl (E)-2-cyano-3-[3-[(4-methoxyphenyl)sulfamoyl]anilino]prop-2-enoate
CID 8811221
(1Z)-2-amino-2-imino-N-[4-[3-(methylcarbamoyl)phenoxy]anilino]ethanimidoyl cyanide
CID 172979156
propan-2-yl 3-[(2Z)-2-(2-amino-1-cyano-2-iminoethylidene)hydrazinyl]benzoate
CID 172931870

Frequently Asked Questions

What is the IUPAC name of (1Z)-2-amino-2-imino-N-[3-[(4-methoxyphenyl)sulfamoyl]anilino]ethanimidoyl cyanide?
The IUPAC name of (1Z)-2-amino-2-imino-N-[3-[(4-methoxyphenyl)sulfamoyl]anilino]ethanimidoyl cyanide (CID 172978050) is (1Z)-2-amino-2-imino-N-[3-[(4-methoxyphenyl)sulfamoyl]anilino]ethanimidoyl cyanide.
What is the SMILES notation for (1Z)-2-amino-2-imino-N-[3-[(4-methoxyphenyl)sulfamoyl]anilino]ethanimidoyl cyanide?
The canonical SMILES for (1Z)-2-amino-2-imino-N-[3-[(4-methoxyphenyl)sulfamoyl]anilino]ethanimidoyl cyanide is [H]/N=C(N)/C(C#N)=N/Nc1cccc(S(=O)(=O)Nc2ccc(OC)cc2)c1.
What is the InChIKey of (1Z)-2-amino-2-imino-N-[3-[(4-methoxyphenyl)sulfamoyl]anilino]ethanimidoyl cyanide?
The InChIKey is ZJOAUOOSYCQHIL-RCCKNPSSSA-N. The full InChI is InChI=1S/C16H16N6O3S/c1-25-13-7-5-11(6-8-13)22-26(23,24)14-4-2-3-12(9-14)20-21-15(10-17)16(18)19/h2-9,20,22H,1H3,(H3,18,19)/b21-15+.
What are the key properties of (1Z)-2-amino-2-imino-N-[3-[(4-methoxyphenyl)sulfamoyl]anilino]ethanimidoyl cyanide?
(1Z)-2-amino-2-imino-N-[3-[(4-methoxyphenyl)sulfamoyl]anilino]ethanimidoyl cyanide has a molecular weight of 372.41 g/mol, XLogP of 1.72, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-2-amino-2-imino-N-[3-[(4-methoxyphenyl)sulfamoyl]anilino]ethanimidoyl cyanide is sourced from PubChem (CID 172978050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).