2,5-dimethyl-N-[(Z)-1-(1H-pyrrol-2-yl)ethylideneamino]benzenesulfonamide

C14H17N3O2S — CID 136908398

IUPAC2,5-dimethyl-N-[(Z)-1-(1H-pyrrol-2-yl)ethylideneamino]benzenesulfonamide
SMILESC/C(=N/NS(=O)(=O)c1cc(C)ccc1C)c1ccc[nH]1
InChIInChI=1S/C14H17N3O2S/c1-10-6-7-11(2)14(9-10)20(18,19)17-16-12(3)13-5-4-8-15-13/h4-9,15,17H,1-3H3/b16-12-
InChIKeyDAIXJKUJXUIDCE-VBKFSLOCSA-N
MW291.38 g/mol
LogP2.33
Rot. Bonds4

About 2,5-dimethyl-N-[(Z)-1-(1H-pyrrol-2-yl)ethylideneamino]benzenesulfonamide

2,5-dimethyl-N-[(Z)-1-(1H-pyrrol-2-yl)ethylideneamino]benzenesulfonamide (PubChem CID 136908398) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 2,5-dimethyl-N-[(Z)-1-(1H-pyrrol-2-yl)ethylideneamino]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[(Z)-1-(1H-pyrrol-2-yl)ethylideneamino]benzenesulfonamide
PubChem CID136908398
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name2,5-dimethyl-N-[(Z)-1-(1H-pyrrol-2-yl)ethylideneamino]benzenesulfonamide
SMILESC/C(=N/NS(=O)(=O)c1cc(C)ccc1C)c1ccc[nH]1
InChIInChI=1S/C14H17N3O2S/c1-10-6-7-11(2)14(9-10)20(18,19)17-16-12(3)13-5-4-8-15-13/h4-9,15,17H,1-3H3/b16-12-
InChIKeyDAIXJKUJXUIDCE-VBKFSLOCSA-N
XLogP2.33
TPSA74.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-1-(3-aminophenyl)ethylideneamino]-2,5-dimethylbenzenesulfonamide
CID 7965468
N-[1-(4-methoxyphenyl)ethylideneamino]-2,5-dimethylbenzenesulfonamide
CID 3263772
2,5-dimethyl-N-[1-(4-methyl-3-nitrophenyl)ethylideneamino]benzenesulfonamide
CID 3288647
N-(2,5-dimethylphenyl)-1-(1H-pyrrol-2-yl)ethanimine
CID 137265295
N-[(Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylideneamino]-2,5-dimethylbenzenesulfonamide
CID 6219518
2,5-dimethyl-N-[(Z)-5-methylhexan-2-ylideneamino]benzenesulfonamide
CID 9217508
N-[(Z)-1-[4-(cyanomethoxy)phenyl]ethylideneamino]-2,5-dimethylbenzenesulfonamide
CID 9231636
N-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]-4-methylbenzenesulfonamide
CID 9073289
N-(fluoren-9-ylideneamino)-2,5-dimethylbenzenesulfonamide
CID 4297375
2,5-dimethyl-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]benzenesulfonamide
CID 6908700
1,3-bis[(2,5-dimethylphenyl)sulfonyl]urea
CID 134090359
N-[(Z)-[4-chloro-1-(4-fluorophenyl)butylidene]amino]-2,5-dimethylbenzenesulfonamide
CID 19629622

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[(Z)-1-(1H-pyrrol-2-yl)ethylideneamino]benzenesulfonamide?
The IUPAC name of 2,5-dimethyl-N-[(Z)-1-(1H-pyrrol-2-yl)ethylideneamino]benzenesulfonamide (CID 136908398) is 2,5-dimethyl-N-[(Z)-1-(1H-pyrrol-2-yl)ethylideneamino]benzenesulfonamide.
What is the SMILES notation for 2,5-dimethyl-N-[(Z)-1-(1H-pyrrol-2-yl)ethylideneamino]benzenesulfonamide?
The canonical SMILES for 2,5-dimethyl-N-[(Z)-1-(1H-pyrrol-2-yl)ethylideneamino]benzenesulfonamide is C/C(=N/NS(=O)(=O)c1cc(C)ccc1C)c1ccc[nH]1.
What is the InChIKey of 2,5-dimethyl-N-[(Z)-1-(1H-pyrrol-2-yl)ethylideneamino]benzenesulfonamide?
The InChIKey is DAIXJKUJXUIDCE-VBKFSLOCSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-10-6-7-11(2)14(9-10)20(18,19)17-16-12(3)13-5-4-8-15-13/h4-9,15,17H,1-3H3/b16-12-.
What are the key properties of 2,5-dimethyl-N-[(Z)-1-(1H-pyrrol-2-yl)ethylideneamino]benzenesulfonamide?
2,5-dimethyl-N-[(Z)-1-(1H-pyrrol-2-yl)ethylideneamino]benzenesulfonamide has a molecular weight of 291.38 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[(Z)-1-(1H-pyrrol-2-yl)ethylideneamino]benzenesulfonamide is sourced from PubChem (CID 136908398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).