N-(2-chloro-4-iodophenyl)-1-cyanoethanesulfonamide

C9H8ClIN2O2S — CID 107605663

IUPACN-(2-chloro-4-iodophenyl)-1-cyanoethanesulfonamide
SMILESCC(C#N)S(=O)(=O)Nc1ccc(I)cc1Cl
InChIInChI=1S/C9H8ClIN2O2S/c1-6(5-12)16(14,15)13-9-3-2-7(11)4-8(9)10/h2-4,6,13H,1H3
InChIKeyBJZQCERKKPSAHE-UHFFFAOYSA-N
MW370.60 g/mol
LogP2.60
Rot. Bonds3

About N-(2-chloro-4-iodophenyl)-1-cyanoethanesulfonamide

N-(2-chloro-4-iodophenyl)-1-cyanoethanesulfonamide (PubChem CID 107605663) has the molecular formula C9H8ClIN2O2S and a molecular weight of 370.60 g/mol. Its IUPAC name is N-(2-chloro-4-iodophenyl)-1-cyanoethanesulfonamide.

Molecular Properties

Compound NameN-(2-chloro-4-iodophenyl)-1-cyanoethanesulfonamide
PubChem CID107605663
Molecular FormulaC9H8ClIN2O2S
Molecular Weight370.60 g/mol
Exact Mass369.90
IUPAC NameN-(2-chloro-4-iodophenyl)-1-cyanoethanesulfonamide
SMILESCC(C#N)S(=O)(=O)Nc1ccc(I)cc1Cl
InChIInChI=1S/C9H8ClIN2O2S/c1-6(5-12)16(14,15)13-9-3-2-7(11)4-8(9)10/h2-4,6,13H,1H3
InChIKeyBJZQCERKKPSAHE-UHFFFAOYSA-N
XLogP2.60
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.60
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-cyano-N-(3,5-dichloro-4-hydroxyphenyl)ethanesulfonamide
CID 82884315
N-(2-chloro-4-iodophenyl)-2-propan-2-yloxyethanesulfonamide
CID 103729090
N-(2-chloro-4-iodophenyl)-4-methylbenzenesulfonamide
CID 39875442
2-chloro-4-iodo-N-(1-methylsulfonylpropan-2-yl)aniline
CID 64631157
1-(2-chloro-4-iodophenyl)-3-propan-2-ylurea
CID 47202224
2-chloro-4-iodo-N-(3-methylbutan-2-yl)aniline
CID 43733742
3-amino-N-(2-chloro-4-iodophenyl)-4-ethylbenzenesulfonamide
CID 107605493
N-(2-chloro-4-cyanophenyl)-1,1-difluoromethanesulfonamide
CID 107808248
2-amino-N-(2-chloro-4-iodophenyl)-4-methylsulfonylbutanamide
CID 43713313
3-(aminomethyl)-N-(2-chloro-4-iodophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 106006895
N-(2-chloro-4-iodophenyl)-3-(methylaminomethyl)benzenesulfonamide
CID 106006523
5-amino-N-(2-chloro-4-iodophenyl)-3-methylimidazole-4-sulfonamide
CID 107605475

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-iodophenyl)-1-cyanoethanesulfonamide?
The IUPAC name of N-(2-chloro-4-iodophenyl)-1-cyanoethanesulfonamide (CID 107605663) is N-(2-chloro-4-iodophenyl)-1-cyanoethanesulfonamide.
What is the SMILES notation for N-(2-chloro-4-iodophenyl)-1-cyanoethanesulfonamide?
The canonical SMILES for N-(2-chloro-4-iodophenyl)-1-cyanoethanesulfonamide is CC(C#N)S(=O)(=O)Nc1ccc(I)cc1Cl.
What is the InChIKey of N-(2-chloro-4-iodophenyl)-1-cyanoethanesulfonamide?
The InChIKey is BJZQCERKKPSAHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClIN2O2S/c1-6(5-12)16(14,15)13-9-3-2-7(11)4-8(9)10/h2-4,6,13H,1H3.
What are the key properties of N-(2-chloro-4-iodophenyl)-1-cyanoethanesulfonamide?
N-(2-chloro-4-iodophenyl)-1-cyanoethanesulfonamide has a molecular weight of 370.60 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-iodophenyl)-1-cyanoethanesulfonamide is sourced from PubChem (CID 107605663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).