(2R)-2-amino-N-[(4-amino-3,5-dichlorophenyl)methyl]-N-(4-amino-3,5-dichlorophenyl)sulfonyl-5-(diaminomethylideneamino)pentanamide

C19H23Cl4N7O3S — CID 67792199

IUPAC(2R)-2-amino-N-[(4-amino-3,5-dichlorophenyl)methyl]-N-(4-amino-3,5-dichlorophenyl)sulfonyl-5-(diaminomethylideneamino)pentanamide
SMILESNC(N)=NCCC[C@@H](N)C(=O)N(Cc1cc(Cl)c(N)c(Cl)c1)S(=O)(=O)c1cc(Cl)c(N)c(Cl)c1
InChIInChI=1S/C19H23Cl4N7O3S/c20-11-4-9(5-12(21)16(11)25)8-30(18(31)15(24)2-1-3-29-19(27)28)34(32,33)10-6-13(22)17(26)14(23)7-10/h4-7,15H,1-3,8,24-26H2,(H4,27,28,29)/t15-/m1/s1
InChIKeyPWNONDSGNMLODR-OAHLLOKOSA-N
MW571.32 g/mol
LogP2.56
Rot. Bonds9

About (2R)-2-amino-N-[(4-amino-3,5-dichlorophenyl)methyl]-N-(4-amino-3,5-dichlorophenyl)sulfonyl-5-(diaminomethylideneamino)pentanamide

(2R)-2-amino-N-[(4-amino-3,5-dichlorophenyl)methyl]-N-(4-amino-3,5-dichlorophenyl)sulfonyl-5-(diaminomethylideneamino)pentanamide (PubChem CID 67792199) has the molecular formula C19H23Cl4N7O3S and a molecular weight of 571.32 g/mol. Its IUPAC name is (2R)-2-amino-N-[(4-amino-3,5-dichlorophenyl)methyl]-N-(4-amino-3,5-dichlorophenyl)sulfonyl-5-(diaminomethylideneamino)pentanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[(4-amino-3,5-dichlorophenyl)methyl]-N-(4-amino-3,5-dichlorophenyl)sulfonyl-5-(diaminomethylideneamino)pentanamide
PubChem CID67792199
Molecular FormulaC19H23Cl4N7O3S
Molecular Weight571.32 g/mol
Exact Mass569.03
IUPAC Name(2R)-2-amino-N-[(4-amino-3,5-dichlorophenyl)methyl]-N-(4-amino-3,5-dichlorophenyl)sulfonyl-5-(diaminomethylideneamino)pentanamide
SMILESNC(N)=NCCC[C@@H](N)C(=O)N(Cc1cc(Cl)c(N)c(Cl)c1)S(=O)(=O)c1cc(Cl)c(N)c(Cl)c1
InChIInChI=1S/C19H23Cl4N7O3S/c20-11-4-9(5-12(21)16(11)25)8-30(18(31)15(24)2-1-3-29-19(27)28)34(32,33)10-6-13(22)17(26)14(23)7-10/h4-7,15H,1-3,8,24-26H2,(H4,27,28,29)/t15-/m1/s1
InChIKeyPWNONDSGNMLODR-OAHLLOKOSA-N
XLogP2.56
TPSA196.91 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500571.32
LogP ≤ 52.56
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-[(4-amino-3,5-dichlorophenyl)sulfonyl-[(4-hydroxyphenyl)methyl]amino]-5-(diaminomethylideneamino)pentanamide;hydrochloride
CID 70281805
amino (2S)-2-amino-5-(diaminomethylideneamino)pentanoate
CID 54278665
(2R)-2-amino-N-[[6-(4-chlorophenoxy)-3-pyridinyl]sulfonyl]-5-(diaminomethylideneamino)-N-hydroxypentanamide
CID 87293313
2-[[(2R)-2-[(4-amino-3,5-dichlorophenyl)methyl-(naphthalene-2-carbonyl)amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetic acid
CID 54408344
(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl chloride;zinc
CID 160575007
silver (2S)-2-amino-5-(diaminomethylideneamino)pentanoate
CID 22982496
lithium 2-amino-5-(diaminomethylideneamino)pentanoate
CID 23698044
2-[(4S)-4-amino-5-(4-methylphenyl)sulfonyl-5-oxopentyl]guanidine
CID 22802145
amino 2-amino-6-(diaminomethylideneamino)hexanoate
CID 174392232
(2S)-2-amino-N-(1-aminobutyl)-5-(diaminomethylideneamino)-N-methylpentanamide
CID 175579254
bis(2-amino-5-(diaminomethylideneamino)pentanoic acid);zinc
CID 154941617
2-amino-5-(diaminomethylideneamino)pentanoic acid;ruthenium(2+)
CID 23025269

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[(4-amino-3,5-dichlorophenyl)methyl]-N-(4-amino-3,5-dichlorophenyl)sulfonyl-5-(diaminomethylideneamino)pentanamide?
The IUPAC name of (2R)-2-amino-N-[(4-amino-3,5-dichlorophenyl)methyl]-N-(4-amino-3,5-dichlorophenyl)sulfonyl-5-(diaminomethylideneamino)pentanamide (CID 67792199) is (2R)-2-amino-N-[(4-amino-3,5-dichlorophenyl)methyl]-N-(4-amino-3,5-dichlorophenyl)sulfonyl-5-(diaminomethylideneamino)pentanamide.
What is the SMILES notation for (2R)-2-amino-N-[(4-amino-3,5-dichlorophenyl)methyl]-N-(4-amino-3,5-dichlorophenyl)sulfonyl-5-(diaminomethylideneamino)pentanamide?
The canonical SMILES for (2R)-2-amino-N-[(4-amino-3,5-dichlorophenyl)methyl]-N-(4-amino-3,5-dichlorophenyl)sulfonyl-5-(diaminomethylideneamino)pentanamide is NC(N)=NCCC[C@@H](N)C(=O)N(Cc1cc(Cl)c(N)c(Cl)c1)S(=O)(=O)c1cc(Cl)c(N)c(Cl)c1.
What is the InChIKey of (2R)-2-amino-N-[(4-amino-3,5-dichlorophenyl)methyl]-N-(4-amino-3,5-dichlorophenyl)sulfonyl-5-(diaminomethylideneamino)pentanamide?
The InChIKey is PWNONDSGNMLODR-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H23Cl4N7O3S/c20-11-4-9(5-12(21)16(11)25)8-30(18(31)15(24)2-1-3-29-19(27)28)34(32,33)10-6-13(22)17(26)14(23)7-10/h4-7,15H,1-3,8,24-26H2,(H4,27,28,29)/t15-/m1/s1.
What are the key properties of (2R)-2-amino-N-[(4-amino-3,5-dichlorophenyl)methyl]-N-(4-amino-3,5-dichlorophenyl)sulfonyl-5-(diaminomethylideneamino)pentanamide?
(2R)-2-amino-N-[(4-amino-3,5-dichlorophenyl)methyl]-N-(4-amino-3,5-dichlorophenyl)sulfonyl-5-(diaminomethylideneamino)pentanamide has a molecular weight of 571.32 g/mol, XLogP of 2.56, 9 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[(4-amino-3,5-dichlorophenyl)methyl]-N-(4-amino-3,5-dichlorophenyl)sulfonyl-5-(diaminomethylideneamino)pentanamide is sourced from PubChem (CID 67792199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).