(Z)-2-cyano-N-(2-nitrophenyl)-3-(4-sulfamoylanilino)prop-2-enamide

C16H13N5O5S — CID 108816492

IUPAC(Z)-2-cyano-N-(2-nitrophenyl)-3-(4-sulfamoylanilino)prop-2-enamide
SMILESN#C/C(=C/Nc1ccc(S(N)(=O)=O)cc1)C(=O)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C16H13N5O5S/c17-9-11(10-19-12-5-7-13(8-6-12)27(18,25)26)16(22)20-14-3-1-2-4-15(14)21(23)24/h1-8,10,19H,(H,20,22)(H2,18,25,26)/b11-10-
InChIKeyRNZWEVBKBRSBSU-KHPPLWFESA-N
MW387.38 g/mol
LogP1.70
Rot. Bonds6

About (Z)-2-cyano-N-(2-nitrophenyl)-3-(4-sulfamoylanilino)prop-2-enamide

(Z)-2-cyano-N-(2-nitrophenyl)-3-(4-sulfamoylanilino)prop-2-enamide (PubChem CID 108816492) has the molecular formula C16H13N5O5S and a molecular weight of 387.38 g/mol. Its IUPAC name is (Z)-2-cyano-N-(2-nitrophenyl)-3-(4-sulfamoylanilino)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-N-(2-nitrophenyl)-3-(4-sulfamoylanilino)prop-2-enamide
PubChem CID108816492
Molecular FormulaC16H13N5O5S
Molecular Weight387.38 g/mol
Exact Mass387.06
IUPAC Name(Z)-2-cyano-N-(2-nitrophenyl)-3-(4-sulfamoylanilino)prop-2-enamide
SMILESN#C/C(=C/Nc1ccc(S(N)(=O)=O)cc1)C(=O)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C16H13N5O5S/c17-9-11(10-19-12-5-7-13(8-6-12)27(18,25)26)16(22)20-14-3-1-2-4-15(14)21(23)24/h1-8,10,19H,(H,20,22)(H2,18,25,26)/b11-10-
InChIKeyRNZWEVBKBRSBSU-KHPPLWFESA-N
XLogP1.70
TPSA168.22 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.38
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(Z)-2-cyano-3-(4-iodoanilino)-N-(2-nitrophenyl)prop-2-enamide
CID 108816701
(Z)-N-(2-chloro-5-nitrophenyl)-2-cyano-3-(4-sulfamoylanilino)prop-2-enamide
CID 108853678
(Z)-2-cyano-3-[(6-methyl-3-pyridinyl)amino]-N-(2-nitrophenyl)prop-2-enamide
CID 108816772
(Z)-2-cyano-3-(3-methylanilino)-N-(2-nitrophenyl)prop-2-enamide
CID 108816537
(Z)-2-cyano-N-(4-hydroxyphenyl)-3-(2-nitroanilino)prop-2-enamide
CID 108827236
(Z)-2-cyano-3-(4-fluoroanilino)-N-(4-sulfamoylphenyl)prop-2-enamide
CID 108841821
(Z)-N-(4-chlorophenyl)-2-cyano-3-(2-nitroanilino)prop-2-enamide
CID 108860649
(Z)-3-(5-chloro-2-hydroxyanilino)-2-cyano-N-(2-nitrophenyl)prop-2-enamide
CID 108816563
(Z)-2-cyano-3-(cyclopentylamino)-N-(2-nitrophenyl)prop-2-enamide
CID 108816475
(Z)-2-cyano-N-(2-nitrophenyl)-3-(2-phenylsulfanylanilino)prop-2-enamide
CID 108816533
(Z)-3-(2-chloro-5-nitroanilino)-2-cyano-N-(2-nitrophenyl)prop-2-enamide
CID 108816524
(Z)-N-(3-chloro-2-methylphenyl)-2-cyano-3-(2-nitroanilino)prop-2-enamide
CID 108823509

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-N-(2-nitrophenyl)-3-(4-sulfamoylanilino)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-N-(2-nitrophenyl)-3-(4-sulfamoylanilino)prop-2-enamide (CID 108816492) is (Z)-2-cyano-N-(2-nitrophenyl)-3-(4-sulfamoylanilino)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-N-(2-nitrophenyl)-3-(4-sulfamoylanilino)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-N-(2-nitrophenyl)-3-(4-sulfamoylanilino)prop-2-enamide is N#C/C(=C/Nc1ccc(S(N)(=O)=O)cc1)C(=O)Nc1ccccc1[N+](=O)[O-].
What is the InChIKey of (Z)-2-cyano-N-(2-nitrophenyl)-3-(4-sulfamoylanilino)prop-2-enamide?
The InChIKey is RNZWEVBKBRSBSU-KHPPLWFESA-N. The full InChI is InChI=1S/C16H13N5O5S/c17-9-11(10-19-12-5-7-13(8-6-12)27(18,25)26)16(22)20-14-3-1-2-4-15(14)21(23)24/h1-8,10,19H,(H,20,22)(H2,18,25,26)/b11-10-.
What are the key properties of (Z)-2-cyano-N-(2-nitrophenyl)-3-(4-sulfamoylanilino)prop-2-enamide?
(Z)-2-cyano-N-(2-nitrophenyl)-3-(4-sulfamoylanilino)prop-2-enamide has a molecular weight of 387.38 g/mol, XLogP of 1.70, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-N-(2-nitrophenyl)-3-(4-sulfamoylanilino)prop-2-enamide is sourced from PubChem (CID 108816492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).