2-(N-(4-chlorophenyl)sulfonylanilino)-N-(cyclododecylideneamino)acetamide

C26H34ClN3O3S — CID 126034636

IUPAC2-(N-(4-chlorophenyl)sulfonylanilino)-N-(cyclododecylideneamino)acetamide
SMILESO=C(CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)NN=C1CCCCCCCCCCC1
InChIInChI=1S/C26H34ClN3O3S/c27-22-17-19-25(20-18-22)34(32,33)30(24-15-11-8-12-16-24)21-26(31)29-28-23-13-9-6-4-2-1-3-5-7-10-14-23/h8,11-12,15-20H,1-7,9-10,13-14,21H2,(H,29,31)
InChIKeyIWNSXAOHSSOSJZ-UHFFFAOYSA-N
MW504.10 g/mol
LogP6.31
Rot. Bonds6

About 2-(N-(4-chlorophenyl)sulfonylanilino)-N-(cyclododecylideneamino)acetamide

2-(N-(4-chlorophenyl)sulfonylanilino)-N-(cyclododecylideneamino)acetamide (PubChem CID 126034636) has the molecular formula C26H34ClN3O3S and a molecular weight of 504.10 g/mol. Its IUPAC name is 2-(N-(4-chlorophenyl)sulfonylanilino)-N-(cyclododecylideneamino)acetamide.

Molecular Properties

Compound Name2-(N-(4-chlorophenyl)sulfonylanilino)-N-(cyclododecylideneamino)acetamide
PubChem CID126034636
Molecular FormulaC26H34ClN3O3S
Molecular Weight504.10 g/mol
Exact Mass503.20
IUPAC Name2-(N-(4-chlorophenyl)sulfonylanilino)-N-(cyclododecylideneamino)acetamide
SMILESO=C(CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)NN=C1CCCCCCCCCCC1
InChIInChI=1S/C26H34ClN3O3S/c27-22-17-19-25(20-18-22)34(32,33)30(24-15-11-8-12-16-24)21-26(31)29-28-23-13-9-6-4-2-1-3-5-7-10-14-23/h8,11-12,15-20H,1-7,9-10,13-14,21H2,(H,29,31)
InChIKeyIWNSXAOHSSOSJZ-UHFFFAOYSA-N
XLogP6.31
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.10
LogP ≤ 56.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-(cyclohexylideneamino)acetamide
CID 3838083
2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-(cycloheptylideneamino)acetamide
CID 1370011
2-[N-(benzenesulfonyl)-4-iodoanilino]-N-(cyclopentylideneamino)acetamide
CID 126139179
2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-(cyclohexylideneamino)acetamide
CID 126122408
2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-(cyclooctylideneamino)acetamide
CID 126134968
2-[N-(benzenesulfonyl)-3-bromoanilino]-N-(cyclododecylideneamino)acetamide
CID 124542684
2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-(cyclooctylideneamino)acetamide
CID 126118023
N-(cyclododecylideneamino)-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide
CID 2854777
2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-(cyclooctylideneamino)acetamide
CID 1041908
N-(cyclododecylideneamino)-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 28588840
N-[(1-benzylpiperidin-4-ylidene)amino]-2-(N-(4-methylphenyl)sulfonylanilino)acetamide
CID 126340370
2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[(1-methylpiperidin-4-ylidene)amino]acetamide
CID 2858984

Frequently Asked Questions

What is the IUPAC name of 2-(N-(4-chlorophenyl)sulfonylanilino)-N-(cyclododecylideneamino)acetamide?
The IUPAC name of 2-(N-(4-chlorophenyl)sulfonylanilino)-N-(cyclododecylideneamino)acetamide (CID 126034636) is 2-(N-(4-chlorophenyl)sulfonylanilino)-N-(cyclododecylideneamino)acetamide.
What is the SMILES notation for 2-(N-(4-chlorophenyl)sulfonylanilino)-N-(cyclododecylideneamino)acetamide?
The canonical SMILES for 2-(N-(4-chlorophenyl)sulfonylanilino)-N-(cyclododecylideneamino)acetamide is O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)NN=C1CCCCCCCCCCC1.
What is the InChIKey of 2-(N-(4-chlorophenyl)sulfonylanilino)-N-(cyclododecylideneamino)acetamide?
The InChIKey is IWNSXAOHSSOSJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34ClN3O3S/c27-22-17-19-25(20-18-22)34(32,33)30(24-15-11-8-12-16-24)21-26(31)29-28-23-13-9-6-4-2-1-3-5-7-10-14-23/h8,11-12,15-20H,1-7,9-10,13-14,21H2,(H,29,31).
What are the key properties of 2-(N-(4-chlorophenyl)sulfonylanilino)-N-(cyclododecylideneamino)acetamide?
2-(N-(4-chlorophenyl)sulfonylanilino)-N-(cyclododecylideneamino)acetamide has a molecular weight of 504.10 g/mol, XLogP of 6.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(4-chlorophenyl)sulfonylanilino)-N-(cyclododecylideneamino)acetamide is sourced from PubChem (CID 126034636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).