(1Z)-2-amino-N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]anilino]-2-iminoethanimidoyl cyanide

C17H18N6O4S — CID 172977921

IUPAC(1Z)-2-amino-N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]anilino]-2-iminoethanimidoyl cyanide
SMILES[H]/N=C(N)/C(C#N)=N/Nc1ccc(S(=O)(=O)Nc2cc(OC)ccc2OC)cc1
InChIInChI=1S/C17H18N6O4S/c1-26-12-5-8-16(27-2)14(9-12)23-28(24,25)13-6-3-11(4-7-13)21-22-15(10-18)17(19)20/h3-9,21,23H,1-2H3,(H3,19,20)/b22-15+
InChIKeyCWYVRCZYWSMACV-PXLXIMEGSA-N
MW402.44 g/mol
LogP1.73
Rot. Bonds8

About (1Z)-2-amino-N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]anilino]-2-iminoethanimidoyl cyanide

(1Z)-2-amino-N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]anilino]-2-iminoethanimidoyl cyanide (PubChem CID 172977921) has the molecular formula C17H18N6O4S and a molecular weight of 402.44 g/mol. Its IUPAC name is (1Z)-2-amino-N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]anilino]-2-iminoethanimidoyl cyanide.

Molecular Properties

Compound Name(1Z)-2-amino-N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]anilino]-2-iminoethanimidoyl cyanide
PubChem CID172977921
Molecular FormulaC17H18N6O4S
Molecular Weight402.44 g/mol
Exact Mass402.11
IUPAC Name(1Z)-2-amino-N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]anilino]-2-iminoethanimidoyl cyanide
SMILES[H]/N=C(N)/C(C#N)=N/Nc1ccc(S(=O)(=O)Nc2cc(OC)ccc2OC)cc1
InChIInChI=1S/C17H18N6O4S/c1-26-12-5-8-16(27-2)14(9-12)23-28(24,25)13-6-3-11(4-7-13)21-22-15(10-18)17(19)20/h3-9,21,23H,1-2H3,(H3,19,20)/b22-15+
InChIKeyCWYVRCZYWSMACV-PXLXIMEGSA-N
XLogP1.73
TPSA162.68 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.44
LogP ≤ 51.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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-2-imino-N-[3-[(4-methoxyphenyl)sulfamoyl]anilino]ethanimidoyl cyanide
CID 172978050
(1Z)-2-amino-2-imino-N-[4-(4-methoxyphenoxy)anilino]ethanimidoyl cyanide
CID 172932012
5-[(2Z)-2-(2-amino-1-cyano-2-iminoethylidene)hydrazinyl]-2-methoxybenzoic acid
CID 172976196
(1Z)-2-amino-N-[3-(4-chlorophenyl)sulfonyl-5-methoxyanilino]-2-iminoethanimidoyl cyanide
CID 172978245
4-[(2Z)-2-(2-amino-1-cyano-2-iminoethylidene)hydrazinyl]-2-methoxybenzoic acid
CID 172931853
(1Z)-2-amino-N-(3-ethenyl-4-methoxyanilino)-2-iminoethanimidoyl cyanide
CID 172979644
(1Z)-2-amino-N-[4-(3-ethoxypropylsulfamoyl)anilino]-2-iminoethanimidoyl cyanide
CID 172977308
(1Z)-2-amino-N-[4-(dimethylamino)-2-methoxyanilino]-2-iminoethanimidoyl cyanide
CID 172977383
(1Z)-2-amino-N-[3,5-bis(methylsulfonyl)anilino]-2-iminoethanimidoyl cyanide
CID 172978388
1-(diaminomethylidene)-2-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]guanidine
CID 168603610
(1Z)-2-amino-N-[4-(difluoromethoxy)anilino]-2-iminoethanimidoyl cyanide
CID 172931759
N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-3-iodo-4-methoxybenzenesulfonamide
CID 126412231

Frequently Asked Questions

What is the IUPAC name of (1Z)-2-amino-N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]anilino]-2-iminoethanimidoyl cyanide?
The IUPAC name of (1Z)-2-amino-N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]anilino]-2-iminoethanimidoyl cyanide (CID 172977921) is (1Z)-2-amino-N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]anilino]-2-iminoethanimidoyl cyanide.
What is the SMILES notation for (1Z)-2-amino-N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]anilino]-2-iminoethanimidoyl cyanide?
The canonical SMILES for (1Z)-2-amino-N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]anilino]-2-iminoethanimidoyl cyanide is [H]/N=C(N)/C(C#N)=N/Nc1ccc(S(=O)(=O)Nc2cc(OC)ccc2OC)cc1.
What is the InChIKey of (1Z)-2-amino-N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]anilino]-2-iminoethanimidoyl cyanide?
The InChIKey is CWYVRCZYWSMACV-PXLXIMEGSA-N. The full InChI is InChI=1S/C17H18N6O4S/c1-26-12-5-8-16(27-2)14(9-12)23-28(24,25)13-6-3-11(4-7-13)21-22-15(10-18)17(19)20/h3-9,21,23H,1-2H3,(H3,19,20)/b22-15+.
What are the key properties of (1Z)-2-amino-N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]anilino]-2-iminoethanimidoyl cyanide?
(1Z)-2-amino-N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]anilino]-2-iminoethanimidoyl cyanide has a molecular weight of 402.44 g/mol, XLogP of 1.73, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-2-amino-N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]anilino]-2-iminoethanimidoyl cyanide is sourced from PubChem (CID 172977921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).