2-chloro-N-[4-chloro-2-[(3-cyanophenyl)sulfonylamino]phenyl]acetamide

C15H11Cl2N3O3S — CID 45273664

IUPAC2-chloro-N-[4-chloro-2-[(3-cyanophenyl)sulfonylamino]phenyl]acetamide
SMILESN#Cc1cccc(S(=O)(=O)Nc2cc(Cl)ccc2NC(=O)CCl)c1
InChIInChI=1S/C15H11Cl2N3O3S/c16-8-15(21)19-13-5-4-11(17)7-14(13)20-24(22,23)12-3-1-2-10(6-12)9-18/h1-7,20H,8H2,(H,19,21)
InChIKeySIEFOSZMXTXHGC-UHFFFAOYSA-N
MW384.24 g/mol
LogP3.19
Rot. Bonds5

About 2-chloro-N-[4-chloro-2-[(3-cyanophenyl)sulfonylamino]phenyl]acetamide

2-chloro-N-[4-chloro-2-[(3-cyanophenyl)sulfonylamino]phenyl]acetamide (PubChem CID 45273664) has the molecular formula C15H11Cl2N3O3S and a molecular weight of 384.24 g/mol. Its IUPAC name is 2-chloro-N-[4-chloro-2-[(3-cyanophenyl)sulfonylamino]phenyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[4-chloro-2-[(3-cyanophenyl)sulfonylamino]phenyl]acetamide
PubChem CID45273664
Molecular FormulaC15H11Cl2N3O3S
Molecular Weight384.24 g/mol
Exact Mass382.99
IUPAC Name2-chloro-N-[4-chloro-2-[(3-cyanophenyl)sulfonylamino]phenyl]acetamide
SMILESN#Cc1cccc(S(=O)(=O)Nc2cc(Cl)ccc2NC(=O)CCl)c1
InChIInChI=1S/C15H11Cl2N3O3S/c16-8-15(21)19-13-5-4-11(17)7-14(13)20-24(22,23)12-3-1-2-10(6-12)9-18/h1-7,20H,8H2,(H,19,21)
InChIKeySIEFOSZMXTXHGC-UHFFFAOYSA-N
XLogP3.19
TPSA99.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.24
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(2-chloro-4-hydroxyphenyl)-3-cyanobenzenesulfonamide
CID 64786986
N-(5-chloro-4-fluoro-2-hydroxyphenyl)-3-cyanobenzenesulfonamide
CID 82722836
1-(4-chlorophenyl)-3-(3-cyanophenyl)sulfonylurea
CID 14763066
3-cyano-N-(2,4,5-trifluorophenyl)benzenesulfonamide
CID 62815564
N-(3-chloro-2-methylphenyl)-3-cyanobenzenesulfonamide
CID 7938773
3-cyano-N-(2,3-difluorophenyl)benzenesulfonamide
CID 47336983
N-(2-chloro-4-cyanophenyl)-3-hydroxybenzenesulfonamide
CID 107809240
N-(2-amino-4-hydroxyphenyl)-3-cyanobenzenesulfonamide
CID 107697986
N'-(3-cyanophenyl)sulfonyl-2-(2,4-dichlorophenoxy)acetohydrazide
CID 8500499
3-cyano-N-(3-hydroxy-2-methylphenyl)benzenesulfonamide
CID 64794037
N-(4-bromo-2-ethylphenyl)-3-cyanobenzenesulfonamide
CID 80970330
1-[2-(benzenesulfonamido)-4-cyanophenyl]-3-(2,3-dichlorophenyl)urea
CID 10367029

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-chloro-2-[(3-cyanophenyl)sulfonylamino]phenyl]acetamide?
The IUPAC name of 2-chloro-N-[4-chloro-2-[(3-cyanophenyl)sulfonylamino]phenyl]acetamide (CID 45273664) is 2-chloro-N-[4-chloro-2-[(3-cyanophenyl)sulfonylamino]phenyl]acetamide.
What is the SMILES notation for 2-chloro-N-[4-chloro-2-[(3-cyanophenyl)sulfonylamino]phenyl]acetamide?
The canonical SMILES for 2-chloro-N-[4-chloro-2-[(3-cyanophenyl)sulfonylamino]phenyl]acetamide is N#Cc1cccc(S(=O)(=O)Nc2cc(Cl)ccc2NC(=O)CCl)c1.
What is the InChIKey of 2-chloro-N-[4-chloro-2-[(3-cyanophenyl)sulfonylamino]phenyl]acetamide?
The InChIKey is SIEFOSZMXTXHGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2N3O3S/c16-8-15(21)19-13-5-4-11(17)7-14(13)20-24(22,23)12-3-1-2-10(6-12)9-18/h1-7,20H,8H2,(H,19,21).
What are the key properties of 2-chloro-N-[4-chloro-2-[(3-cyanophenyl)sulfonylamino]phenyl]acetamide?
2-chloro-N-[4-chloro-2-[(3-cyanophenyl)sulfonylamino]phenyl]acetamide has a molecular weight of 384.24 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-chloro-2-[(3-cyanophenyl)sulfonylamino]phenyl]acetamide is sourced from PubChem (CID 45273664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).