N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]-4-(thiophen-2-ylsulfonylamino)benzamide

C19H13N5O6S2 — CID 3413205

IUPACN-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]-4-(thiophen-2-ylsulfonylamino)benzamide
SMILESO=C(/N=N/c1c(O)[nH]c2ccc([N+](=O)[O-])cc12)c1ccc(NS(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C19H13N5O6S2/c25-18(11-3-5-12(6-4-11)23-32(29,30)16-2-1-9-31-16)22-21-17-14-10-13(24(27)28)7-8-15(14)20-19(17)26/h1-10,20,23,26H/b22-21+
InChIKeyXJUJNVGWKCTGEZ-QURGRASLSA-N
MW471.48 g/mol
LogP4.57
Rot. Bonds6

About N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]-4-(thiophen-2-ylsulfonylamino)benzamide

N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]-4-(thiophen-2-ylsulfonylamino)benzamide (PubChem CID 3413205) has the molecular formula C19H13N5O6S2 and a molecular weight of 471.48 g/mol. Its IUPAC name is N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]-4-(thiophen-2-ylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]-4-(thiophen-2-ylsulfonylamino)benzamide
PubChem CID3413205
Molecular FormulaC19H13N5O6S2
Molecular Weight471.48 g/mol
Exact Mass471.03
IUPAC NameN-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]-4-(thiophen-2-ylsulfonylamino)benzamide
SMILESO=C(/N=N/c1c(O)[nH]c2ccc([N+](=O)[O-])cc12)c1ccc(NS(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C19H13N5O6S2/c25-18(11-3-5-12(6-4-11)23-32(29,30)16-2-1-9-31-16)22-21-17-14-10-13(24(27)28)7-8-15(14)20-19(17)26/h1-10,20,23,26H/b22-21+
InChIKeyXJUJNVGWKCTGEZ-QURGRASLSA-N
XLogP4.57
TPSA167.12 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.48
LogP ≤ 54.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', '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

N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]-4-methyl-3-nitrobenzamide
CID 3675152
N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]-3-methylbenzamide
CID 3870793
N-[(E)-1-(4-nitrophenyl)ethylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 6047512
N-[(4-nitrophenyl)methylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 2370561
N-[1-(4-nitrophenyl)ethylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 4246349
N-[(E)-(3-nitrophenyl)methylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 18231366
N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]acetamide
CID 4658670
N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]furan-2-carboxamide
CID 3382763
N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]pyridine-2-carboxamide
CID 3101810
N,N'-bis[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]octanediamide
CID 135544236
N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]benzenesulfonamide
CID 3718763
(3-nitrophenyl)methyl 4-(thiophen-2-ylsulfonylamino)benzoate
CID 4309951

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]-4-(thiophen-2-ylsulfonylamino)benzamide?
The IUPAC name of N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]-4-(thiophen-2-ylsulfonylamino)benzamide (CID 3413205) is N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]-4-(thiophen-2-ylsulfonylamino)benzamide.
What is the SMILES notation for N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]-4-(thiophen-2-ylsulfonylamino)benzamide?
The canonical SMILES for N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]-4-(thiophen-2-ylsulfonylamino)benzamide is O=C(/N=N/c1c(O)[nH]c2ccc([N+](=O)[O-])cc12)c1ccc(NS(=O)(=O)c2cccs2)cc1.
What is the InChIKey of N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]-4-(thiophen-2-ylsulfonylamino)benzamide?
The InChIKey is XJUJNVGWKCTGEZ-QURGRASLSA-N. The full InChI is InChI=1S/C19H13N5O6S2/c25-18(11-3-5-12(6-4-11)23-32(29,30)16-2-1-9-31-16)22-21-17-14-10-13(24(27)28)7-8-15(14)20-19(17)26/h1-10,20,23,26H/b22-21+.
What are the key properties of N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]-4-(thiophen-2-ylsulfonylamino)benzamide?
N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]-4-(thiophen-2-ylsulfonylamino)benzamide has a molecular weight of 471.48 g/mol, XLogP of 4.57, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]-4-(thiophen-2-ylsulfonylamino)benzamide is sourced from PubChem (CID 3413205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).