3-(aminomethyl)-5-chloro-N-(2-iodophenyl)-2-methylbenzenesulfonamide

C14H14ClIN2O2S — CID 106030300

IUPAC3-(aminomethyl)-5-chloro-N-(2-iodophenyl)-2-methylbenzenesulfonamide
SMILESCc1c(CN)cc(Cl)cc1S(=O)(=O)Nc1ccccc1I
InChIInChI=1S/C14H14ClIN2O2S/c1-9-10(8-17)6-11(15)7-14(9)21(19,20)18-13-5-3-2-4-12(13)16/h2-7,18H,8,17H2,1H3
InChIKeyDDWXUAMAPPNFPM-UHFFFAOYSA-N
MW436.70 g/mol
LogP3.51
Rot. Bonds4

About 3-(aminomethyl)-5-chloro-N-(2-iodophenyl)-2-methylbenzenesulfonamide

3-(aminomethyl)-5-chloro-N-(2-iodophenyl)-2-methylbenzenesulfonamide (PubChem CID 106030300) has the molecular formula C14H14ClIN2O2S and a molecular weight of 436.70 g/mol. Its IUPAC name is 3-(aminomethyl)-5-chloro-N-(2-iodophenyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-5-chloro-N-(2-iodophenyl)-2-methylbenzenesulfonamide
PubChem CID106030300
Molecular FormulaC14H14ClIN2O2S
Molecular Weight436.70 g/mol
Exact Mass435.95
IUPAC Name3-(aminomethyl)-5-chloro-N-(2-iodophenyl)-2-methylbenzenesulfonamide
SMILESCc1c(CN)cc(Cl)cc1S(=O)(=O)Nc1ccccc1I
InChIInChI=1S/C14H14ClIN2O2S/c1-9-10(8-17)6-11(15)7-14(9)21(19,20)18-13-5-3-2-4-12(13)16/h2-7,18H,8,17H2,1H3
InChIKeyDDWXUAMAPPNFPM-UHFFFAOYSA-N
XLogP3.51
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.70
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(aminomethyl)-5-chloro-2-methyl-N-pyridin-3-ylbenzenesulfonamide
CID 106033836
2-(aminomethyl)-N-(4-chloro-2-iodophenyl)benzenesulfonamide
CID 106087423
3-(aminomethyl)-N-(2-bromophenyl)-2,5-dichlorobenzenesulfonamide
CID 106061184
3-(aminomethyl)-N-(5-bromo-2-pyridinyl)-5-chloro-2-methylbenzenesulfonamide
CID 106020875
3-(aminomethyl)-5-chloro-N-[2-(dimethylamino)ethyl]-2-methylbenzenesulfonamide
CID 106032749
3-(aminomethyl)-5-chloro-N-cyclopentyl-2-methylbenzenesulfonamide
CID 82884640
3-amino-5-chloro-N-(2-iodophenyl)-4-methylbenzenesulfonamide
CID 43124650
5-(aminomethyl)-N-(2-chlorophenyl)-2,3-dimethylbenzenesulfonamide
CID 106061933
3-(aminomethyl)-5-chloro-N-cyclobutyl-2-methylbenzenesulfonamide
CID 82885175
3-(aminomethyl)-N-(2-iodophenyl)-4-methoxybenzenesulfonamide
CID 106030152
3-(aminomethyl)-5-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylbenzenesulfonamide
CID 106089839
2-amino-4,6-dichloro-N-(2-iodophenyl)benzenesulfonamide
CID 43256705

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-5-chloro-N-(2-iodophenyl)-2-methylbenzenesulfonamide?
The IUPAC name of 3-(aminomethyl)-5-chloro-N-(2-iodophenyl)-2-methylbenzenesulfonamide (CID 106030300) is 3-(aminomethyl)-5-chloro-N-(2-iodophenyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 3-(aminomethyl)-5-chloro-N-(2-iodophenyl)-2-methylbenzenesulfonamide?
The canonical SMILES for 3-(aminomethyl)-5-chloro-N-(2-iodophenyl)-2-methylbenzenesulfonamide is Cc1c(CN)cc(Cl)cc1S(=O)(=O)Nc1ccccc1I.
What is the InChIKey of 3-(aminomethyl)-5-chloro-N-(2-iodophenyl)-2-methylbenzenesulfonamide?
The InChIKey is DDWXUAMAPPNFPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClIN2O2S/c1-9-10(8-17)6-11(15)7-14(9)21(19,20)18-13-5-3-2-4-12(13)16/h2-7,18H,8,17H2,1H3.
What are the key properties of 3-(aminomethyl)-5-chloro-N-(2-iodophenyl)-2-methylbenzenesulfonamide?
3-(aminomethyl)-5-chloro-N-(2-iodophenyl)-2-methylbenzenesulfonamide has a molecular weight of 436.70 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-5-chloro-N-(2-iodophenyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 106030300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).