2-[N-(benzenesulfonyl)-4-iodoanilino]-N-(cyclopentylideneamino)acetamide

C19H20IN3O3S — CID 126139179

IUPAC2-[N-(benzenesulfonyl)-4-iodoanilino]-N-(cyclopentylideneamino)acetamide
SMILESO=C(CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1)NN=C1CCCC1
InChIInChI=1S/C19H20IN3O3S/c20-15-10-12-17(13-11-15)23(27(25,26)18-8-2-1-3-9-18)14-19(24)22-21-16-6-4-5-7-16/h1-3,8-13H,4-7,14H2,(H,22,24)
InChIKeyKNLZZXAHPRDBOG-UHFFFAOYSA-N
MW497.36 g/mol
LogP3.53
Rot. Bonds6

About 2-[N-(benzenesulfonyl)-4-iodoanilino]-N-(cyclopentylideneamino)acetamide

2-[N-(benzenesulfonyl)-4-iodoanilino]-N-(cyclopentylideneamino)acetamide (PubChem CID 126139179) has the molecular formula C19H20IN3O3S and a molecular weight of 497.36 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-4-iodoanilino]-N-(cyclopentylideneamino)acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-4-iodoanilino]-N-(cyclopentylideneamino)acetamide
PubChem CID126139179
Molecular FormulaC19H20IN3O3S
Molecular Weight497.36 g/mol
Exact Mass497.03
IUPAC Name2-[N-(benzenesulfonyl)-4-iodoanilino]-N-(cyclopentylideneamino)acetamide
SMILESO=C(CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1)NN=C1CCCC1
InChIInChI=1S/C19H20IN3O3S/c20-15-10-12-17(13-11-15)23(27(25,26)18-8-2-1-3-9-18)14-19(24)22-21-16-6-4-5-7-16/h1-3,8-13H,4-7,14H2,(H,22,24)
InChIKeyKNLZZXAHPRDBOG-UHFFFAOYSA-N
XLogP3.53
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.36
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(N-(4-chlorophenyl)sulfonylanilino)-N-(cyclododecylideneamino)acetamide
CID 126034636
2-[N-(benzenesulfonyl)-3-bromoanilino]-N-(cyclododecylideneamino)acetamide
CID 124542684
2-[N-(benzenesulfonyl)-4-methylanilino]-N-[(1-methylpiperidin-4-ylidene)amino]acetamide
CID 1021048
2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-(cyclooctylideneamino)acetamide
CID 1041908
2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-(cyclododecylideneamino)acetamide
CID 4252454
2-[benzenesulfonyl(benzyl)amino]-N-(cyclohexylideneamino)acetamide
CID 1100941
N-(cyclooctylideneamino)-2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)acetamide
CID 1103816
2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-(cyclohexylideneamino)acetamide
CID 3838083
N-(cyclododecylideneamino)-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 28588840
N-(cyclododecylideneamino)-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide
CID 2854777
2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[(4-tert-butylcyclohexylidene)amino]acetamide
CID 3406489
2-(4-iodo-N-methylsulfonylanilino)-N-[(1-methylpiperidin-4-ylidene)amino]acetamide
CID 5177317

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-4-iodoanilino]-N-(cyclopentylideneamino)acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-4-iodoanilino]-N-(cyclopentylideneamino)acetamide (CID 126139179) is 2-[N-(benzenesulfonyl)-4-iodoanilino]-N-(cyclopentylideneamino)acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-4-iodoanilino]-N-(cyclopentylideneamino)acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-4-iodoanilino]-N-(cyclopentylideneamino)acetamide is O=C(CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1)NN=C1CCCC1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-4-iodoanilino]-N-(cyclopentylideneamino)acetamide?
The InChIKey is KNLZZXAHPRDBOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20IN3O3S/c20-15-10-12-17(13-11-15)23(27(25,26)18-8-2-1-3-9-18)14-19(24)22-21-16-6-4-5-7-16/h1-3,8-13H,4-7,14H2,(H,22,24).
What are the key properties of 2-[N-(benzenesulfonyl)-4-iodoanilino]-N-(cyclopentylideneamino)acetamide?
2-[N-(benzenesulfonyl)-4-iodoanilino]-N-(cyclopentylideneamino)acetamide has a molecular weight of 497.36 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-4-iodoanilino]-N-(cyclopentylideneamino)acetamide is sourced from PubChem (CID 126139179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).