N-(2-chloro-4-iodophenyl)-2,3-dihydro-1H-indene-5-sulfonamide

C15H13ClINO2S — CID 107606873

IUPACN-(2-chloro-4-iodophenyl)-2,3-dihydro-1H-indene-5-sulfonamide
SMILESO=S(=O)(Nc1ccc(I)cc1Cl)c1ccc2c(c1)CCC2
InChIInChI=1S/C15H13ClINO2S/c16-14-9-12(17)5-7-15(14)18-21(19,20)13-6-4-10-2-1-3-11(10)8-13/h4-9,18H,1-3H2
InChIKeyIKBMQNITIQRBLP-UHFFFAOYSA-N
MW433.70 g/mol
LogP4.23
Rot. Bonds3

About N-(2-chloro-4-iodophenyl)-2,3-dihydro-1H-indene-5-sulfonamide

N-(2-chloro-4-iodophenyl)-2,3-dihydro-1H-indene-5-sulfonamide (PubChem CID 107606873) has the molecular formula C15H13ClINO2S and a molecular weight of 433.70 g/mol. Its IUPAC name is N-(2-chloro-4-iodophenyl)-2,3-dihydro-1H-indene-5-sulfonamide.

Molecular Properties

Compound NameN-(2-chloro-4-iodophenyl)-2,3-dihydro-1H-indene-5-sulfonamide
PubChem CID107606873
Molecular FormulaC15H13ClINO2S
Molecular Weight433.70 g/mol
Exact Mass432.94
IUPAC NameN-(2-chloro-4-iodophenyl)-2,3-dihydro-1H-indene-5-sulfonamide
SMILESO=S(=O)(Nc1ccc(I)cc1Cl)c1ccc2c(c1)CCC2
InChIInChI=1S/C15H13ClINO2S/c16-14-9-12(17)5-7-15(14)18-21(19,20)13-6-4-10-2-1-3-11(10)8-13/h4-9,18H,1-3H2
InChIKeyIKBMQNITIQRBLP-UHFFFAOYSA-N
XLogP4.23
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.70
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloro-4-iodophenyl)-2,3-dihydro-1H-indole-5-sulfonamide
CID 107605731
N-(2-chloro-4-iodophenyl)-4-methylbenzenesulfonamide
CID 39875442
N-(5-bromo-2-chlorophenyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 62908088
3-amino-N-(2-chloro-4-iodophenyl)-4-ethylbenzenesulfonamide
CID 107605493
N-(2-bromo-5-chlorophenyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 81260770
N-(2-chloro-4-iodophenyl)-1H-pyrazole-4-sulfonamide
CID 47364015
N-(2-chloro-4-pyridinyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 103944070
N-(2-chloro-4-iodophenyl)-2-hydrazinylpyridine-4-sulfonamide
CID 107605710
N-(5-chloro-2,4-dimethoxyphenyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 7510365
N-(2-chloro-3-pyridinyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 26969819
N-(2-chloro-4-iodophenyl)-3-(methylaminomethyl)benzenesulfonamide
CID 106006523
N-(2,4-dichlorophenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 110344403

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-iodophenyl)-2,3-dihydro-1H-indene-5-sulfonamide?
The IUPAC name of N-(2-chloro-4-iodophenyl)-2,3-dihydro-1H-indene-5-sulfonamide (CID 107606873) is N-(2-chloro-4-iodophenyl)-2,3-dihydro-1H-indene-5-sulfonamide.
What is the SMILES notation for N-(2-chloro-4-iodophenyl)-2,3-dihydro-1H-indene-5-sulfonamide?
The canonical SMILES for N-(2-chloro-4-iodophenyl)-2,3-dihydro-1H-indene-5-sulfonamide is O=S(=O)(Nc1ccc(I)cc1Cl)c1ccc2c(c1)CCC2.
What is the InChIKey of N-(2-chloro-4-iodophenyl)-2,3-dihydro-1H-indene-5-sulfonamide?
The InChIKey is IKBMQNITIQRBLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClINO2S/c16-14-9-12(17)5-7-15(14)18-21(19,20)13-6-4-10-2-1-3-11(10)8-13/h4-9,18H,1-3H2.
What are the key properties of N-(2-chloro-4-iodophenyl)-2,3-dihydro-1H-indene-5-sulfonamide?
N-(2-chloro-4-iodophenyl)-2,3-dihydro-1H-indene-5-sulfonamide has a molecular weight of 433.70 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-iodophenyl)-2,3-dihydro-1H-indene-5-sulfonamide is sourced from PubChem (CID 107606873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).