N'-(4-methoxyphenyl)sulfonyl-2-pyrrol-1-ylbenzohydrazide

C18H17N3O4S — CID 1481258

IUPACN'-(4-methoxyphenyl)sulfonyl-2-pyrrol-1-ylbenzohydrazide
SMILESCOc1ccc(S(=O)(=O)NNC(=O)c2ccccc2-n2cccc2)cc1
InChIInChI=1S/C18H17N3O4S/c1-25-14-8-10-15(11-9-14)26(23,24)20-19-18(22)16-6-2-3-7-17(16)21-12-4-5-13-21/h2-13,20H,1H3,(H,19,22)
InChIKeyNQWWPBFQZMCESS-UHFFFAOYSA-N
MW371.42 g/mol
LogP2.11
Rot. Bonds6

About N'-(4-methoxyphenyl)sulfonyl-2-pyrrol-1-ylbenzohydrazide

N'-(4-methoxyphenyl)sulfonyl-2-pyrrol-1-ylbenzohydrazide (PubChem CID 1481258) has the molecular formula C18H17N3O4S and a molecular weight of 371.42 g/mol. Its IUPAC name is N'-(4-methoxyphenyl)sulfonyl-2-pyrrol-1-ylbenzohydrazide.

Molecular Properties

Compound NameN'-(4-methoxyphenyl)sulfonyl-2-pyrrol-1-ylbenzohydrazide
PubChem CID1481258
Molecular FormulaC18H17N3O4S
Molecular Weight371.42 g/mol
Exact Mass371.09
IUPAC NameN'-(4-methoxyphenyl)sulfonyl-2-pyrrol-1-ylbenzohydrazide
SMILESCOc1ccc(S(=O)(=O)NNC(=O)c2ccccc2-n2cccc2)cc1
InChIInChI=1S/C18H17N3O4S/c1-25-14-8-10-15(11-9-14)26(23,24)20-19-18(22)16-6-2-3-7-17(16)21-12-4-5-13-21/h2-13,20H,1H3,(H,19,22)
InChIKeyNQWWPBFQZMCESS-UHFFFAOYSA-N
XLogP2.11
TPSA89.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Way-151693
CID 4368
N-Hydroxy-2-[(4-methoxy-benzenesulfonyl)-pyridin-3-ylmethyl-amino]-3,5-dimethyl-benzamide
CID 21310829
N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-3-methyl-5-phenylbenzamide
CID 44309437
methyl 3-(hydroxycarbamoyl)-2-(4-methoxy-N-(pyridin-3-ylmethyl)phenylsulfonamido)benzoate
CID 44316157
N'-(benzenesulfonyl)-3-methoxy-5-pyridin-2-ylbenzohydrazide
CID 135298581
3-[(4-methoxyphenyl)sulfonylamino]-4-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 139390930
N-(benzenesulfonyl)-N-(4-methoxyphenyl)-3-pyridinecarboxamide
CID 1242547
3-[(4-methoxyphenyl)sulfamoyl]-N-[(E)-1-pyridin-4-ylethylideneamino]benzamide
CID 9689295
N-Hydroxy-3-methyl-2-{methyl-[4-(pyridin-4-yloxy)-benzenesulfonyl]-amino}-benzamide
CID 10093147
3-[[(2-ethoxypyridine-3-carbonyl)amino]carbamoyl]-N-(2-methoxyphenyl)benzenesulfonamide
CID 24540494
3-[[(5-bromopyridine-3-carbonyl)amino]carbamoyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 24980493
N-Hydroxy-2-{methyl-[4-(pyridin-4-yloxy)-benzenesulfonyl]-amino}-benzamide
CID 44309532

Frequently Asked Questions

What is the IUPAC name of N'-(4-methoxyphenyl)sulfonyl-2-pyrrol-1-ylbenzohydrazide?
The IUPAC name of N'-(4-methoxyphenyl)sulfonyl-2-pyrrol-1-ylbenzohydrazide (CID 1481258) is N'-(4-methoxyphenyl)sulfonyl-2-pyrrol-1-ylbenzohydrazide.
What is the SMILES notation for N'-(4-methoxyphenyl)sulfonyl-2-pyrrol-1-ylbenzohydrazide?
The canonical SMILES for N'-(4-methoxyphenyl)sulfonyl-2-pyrrol-1-ylbenzohydrazide is COc1ccc(S(=O)(=O)NNC(=O)c2ccccc2-n2cccc2)cc1.
What is the InChIKey of N'-(4-methoxyphenyl)sulfonyl-2-pyrrol-1-ylbenzohydrazide?
The InChIKey is NQWWPBFQZMCESS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4S/c1-25-14-8-10-15(11-9-14)26(23,24)20-19-18(22)16-6-2-3-7-17(16)21-12-4-5-13-21/h2-13,20H,1H3,(H,19,22).
What are the key properties of N'-(4-methoxyphenyl)sulfonyl-2-pyrrol-1-ylbenzohydrazide?
N'-(4-methoxyphenyl)sulfonyl-2-pyrrol-1-ylbenzohydrazide has a molecular weight of 371.42 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methoxyphenyl)sulfonyl-2-pyrrol-1-ylbenzohydrazide is sourced from PubChem (CID 1481258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).