4-nitro-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]benzenesulfonamide

C11H10N4O4S — CID 136851968

IUPAC4-nitro-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]benzenesulfonamide
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)N/N=C\c2ccc[nH]2)cc1
InChIInChI=1S/C11H10N4O4S/c16-15(17)10-3-5-11(6-4-10)20(18,19)14-13-8-9-2-1-7-12-9/h1-8,12,14H/b13-8-
InChIKeyIAUAPCFDBLXPIE-JYRVWZFOSA-N
MW294.29 g/mol
LogP1.24
Rot. Bonds5

About 4-nitro-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]benzenesulfonamide

4-nitro-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]benzenesulfonamide (PubChem CID 136851968) has the molecular formula C11H10N4O4S and a molecular weight of 294.29 g/mol. Its IUPAC name is 4-nitro-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]benzenesulfonamide.

Molecular Properties

Compound Name4-nitro-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]benzenesulfonamide
PubChem CID136851968
Molecular FormulaC11H10N4O4S
Molecular Weight294.29 g/mol
Exact Mass294.04
IUPAC Name4-nitro-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]benzenesulfonamide
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)N/N=C\c2ccc[nH]2)cc1
InChIInChI=1S/C11H10N4O4S/c16-15(17)10-3-5-11(6-4-10)20(18,19)14-13-8-9-2-1-7-12-9/h1-8,12,14H/b13-8-
InChIKeyIAUAPCFDBLXPIE-JYRVWZFOSA-N
XLogP1.24
TPSA117.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.29
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_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

4-chloro-N-[(E)-1H-pyrrol-2-ylmethylideneamino]benzenesulfonamide
CID 135716267
4-methoxy-N-[(E)-1H-pyrrol-2-ylmethylideneamino]benzenesulfonamide
CID 135506648
4-ethoxy-N-[(E)-1H-pyrrol-2-ylmethylideneamino]benzenesulfonamide
CID 135614386
1-(4-nitrophenyl)-3-(1H-pyrrol-2-ylmethylideneamino)thiourea
CID 137244886
4-bromo-N-[(4-nitrophenyl)methylideneamino]benzenesulfonamide
CID 1027931
N-[(Z)-(2,3-dihydroxyphenyl)methylideneamino]-4-nitrobenzenesulfonamide
CID 135958010
4-nitro-N-[(E)-pyridin-3-ylmethylideneamino]benzenesulfonamide
CID 46498198
5-nitro-N-[(E)-1H-pyrrol-2-ylmethylideneamino]pyridin-2-amine
CID 135810238
4-nitro-N-(thiophen-3-ylmethylideneamino)benzenesulfonamide
CID 842353
N-[(5-methylfuran-2-yl)methylideneamino]-4-nitrobenzenesulfonamide
CID 842355
3-nitro-4-[(2E)-2-(1H-pyrrol-2-ylmethylidene)hydrazinyl]benzenesulfonamide
CID 135752106
N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]benzenesulfonamide
CID 5414600

Frequently Asked Questions

What is the IUPAC name of 4-nitro-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]benzenesulfonamide?
The IUPAC name of 4-nitro-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]benzenesulfonamide (CID 136851968) is 4-nitro-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]benzenesulfonamide.
What is the SMILES notation for 4-nitro-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]benzenesulfonamide?
The canonical SMILES for 4-nitro-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]benzenesulfonamide is O=[N+]([O-])c1ccc(S(=O)(=O)N/N=C\c2ccc[nH]2)cc1.
What is the InChIKey of 4-nitro-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]benzenesulfonamide?
The InChIKey is IAUAPCFDBLXPIE-JYRVWZFOSA-N. The full InChI is InChI=1S/C11H10N4O4S/c16-15(17)10-3-5-11(6-4-10)20(18,19)14-13-8-9-2-1-7-12-9/h1-8,12,14H/b13-8-.
What are the key properties of 4-nitro-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]benzenesulfonamide?
4-nitro-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]benzenesulfonamide has a molecular weight of 294.29 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]benzenesulfonamide is sourced from PubChem (CID 136851968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).