N-[3-(hydrazinecarbonyl)-5-(thiophen-2-ylsulfonylamino)phenyl]thiophene-2-sulfonamide

C15H14N4O5S4 — CID 2386135

IUPACN-[3-(hydrazinecarbonyl)-5-(thiophen-2-ylsulfonylamino)phenyl]thiophene-2-sulfonamide
SMILESNNC(=O)c1cc(NS(=O)(=O)c2cccs2)cc(NS(=O)(=O)c2cccs2)c1
InChIInChI=1S/C15H14N4O5S4/c16-17-15(20)10-7-11(18-27(21,22)13-3-1-5-25-13)9-12(8-10)19-28(23,24)14-4-2-6-26-14/h1-9,18-19H,16H2,(H,17,20)
InChIKeyMGLROXORLYYUJD-UHFFFAOYSA-N
MW458.57 g/mol
LogP2.01
Rot. Bonds7

About N-[3-(hydrazinecarbonyl)-5-(thiophen-2-ylsulfonylamino)phenyl]thiophene-2-sulfonamide

N-[3-(hydrazinecarbonyl)-5-(thiophen-2-ylsulfonylamino)phenyl]thiophene-2-sulfonamide (PubChem CID 2386135) has the molecular formula C15H14N4O5S4 and a molecular weight of 458.57 g/mol. Its IUPAC name is N-[3-(hydrazinecarbonyl)-5-(thiophen-2-ylsulfonylamino)phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[3-(hydrazinecarbonyl)-5-(thiophen-2-ylsulfonylamino)phenyl]thiophene-2-sulfonamide
PubChem CID2386135
Molecular FormulaC15H14N4O5S4
Molecular Weight458.57 g/mol
Exact Mass457.98
IUPAC NameN-[3-(hydrazinecarbonyl)-5-(thiophen-2-ylsulfonylamino)phenyl]thiophene-2-sulfonamide
SMILESNNC(=O)c1cc(NS(=O)(=O)c2cccs2)cc(NS(=O)(=O)c2cccs2)c1
InChIInChI=1S/C15H14N4O5S4/c16-17-15(20)10-7-11(18-27(21,22)13-3-1-5-25-13)9-12(8-10)19-28(23,24)14-4-2-6-26-14/h1-9,18-19H,16H2,(H,17,20)
InChIKeyMGLROXORLYYUJD-UHFFFAOYSA-N
XLogP2.01
TPSA147.46 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.57
LogP ≤ 52.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3,3-dimethyl-2-oxobutyl) 3,5-bis(thiophen-2-ylsulfonylamino)benzoate
CID 25037570
N-(2-phenylphenyl)-3,5-bis(thiophen-2-ylsulfonylamino)benzamide
CID 2354546
N-[[(2S)-oxolan-2-yl]methyl]-3,5-bis(thiophen-2-ylsulfonylamino)benzamide
CID 2336673
(3-chlorophenyl)methyl 3,5-bis(thiophen-2-ylsulfonylamino)benzoate
CID 25043128
N-[(Z)-(3-oxoinden-1-ylidene)amino]-3,5-bis(thiophen-2-ylsulfonylamino)benzamide
CID 6519249
N-(thiolan-3-ylideneamino)-3,5-bis(thiophen-2-ylsulfonylamino)benzamide
CID 5167189
N-(3-imidazol-1-ylpropyl)-3,5-bis(thiophen-2-ylsulfonylamino)benzamide
CID 4070087
[2-(3,5-dichloroanilino)-2-oxoethyl] 3,5-bis(thiophen-2-ylsulfonylamino)benzoate
CID 25039023
(4-cyanophenyl)methyl 3,5-bis(thiophen-2-ylsulfonylamino)benzoate
CID 2412693
N-ethoxy-4-(thiophen-2-ylsulfonylamino)benzamide
CID 17470879
N-(1-hydroxypropan-2-yl)-3-(thiophen-2-ylsulfonylamino)benzamide
CID 78896710
N-(3-amino-2-methylpropyl)-3-(thiophen-2-ylsulfonylamino)benzamide;hydrochloride
CID 119995200

Frequently Asked Questions

What is the IUPAC name of N-[3-(hydrazinecarbonyl)-5-(thiophen-2-ylsulfonylamino)phenyl]thiophene-2-sulfonamide?
The IUPAC name of N-[3-(hydrazinecarbonyl)-5-(thiophen-2-ylsulfonylamino)phenyl]thiophene-2-sulfonamide (CID 2386135) is N-[3-(hydrazinecarbonyl)-5-(thiophen-2-ylsulfonylamino)phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[3-(hydrazinecarbonyl)-5-(thiophen-2-ylsulfonylamino)phenyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[3-(hydrazinecarbonyl)-5-(thiophen-2-ylsulfonylamino)phenyl]thiophene-2-sulfonamide is NNC(=O)c1cc(NS(=O)(=O)c2cccs2)cc(NS(=O)(=O)c2cccs2)c1.
What is the InChIKey of N-[3-(hydrazinecarbonyl)-5-(thiophen-2-ylsulfonylamino)phenyl]thiophene-2-sulfonamide?
The InChIKey is MGLROXORLYYUJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O5S4/c16-17-15(20)10-7-11(18-27(21,22)13-3-1-5-25-13)9-12(8-10)19-28(23,24)14-4-2-6-26-14/h1-9,18-19H,16H2,(H,17,20).
What are the key properties of N-[3-(hydrazinecarbonyl)-5-(thiophen-2-ylsulfonylamino)phenyl]thiophene-2-sulfonamide?
N-[3-(hydrazinecarbonyl)-5-(thiophen-2-ylsulfonylamino)phenyl]thiophene-2-sulfonamide has a molecular weight of 458.57 g/mol, XLogP of 2.01, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(hydrazinecarbonyl)-5-(thiophen-2-ylsulfonylamino)phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 2386135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).