4-iodo-3-methoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide

C12H12INO3S2 — CID 35202847

IUPAC4-iodo-3-methoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESCOc1cc(S(=O)(=O)NCc2cccs2)ccc1I
InChIInChI=1S/C12H12INO3S2/c1-17-12-7-10(4-5-11(12)13)19(15,16)14-8-9-3-2-6-18-9/h2-7,14H,8H2,1H3
InChIKeyKTSCZGINJYONLC-UHFFFAOYSA-N
MW409.27 g/mol
LogP2.84
Rot. Bonds5

About 4-iodo-3-methoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide

4-iodo-3-methoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide (PubChem CID 35202847) has the molecular formula C12H12INO3S2 and a molecular weight of 409.27 g/mol. Its IUPAC name is 4-iodo-3-methoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-iodo-3-methoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
PubChem CID35202847
Molecular FormulaC12H12INO3S2
Molecular Weight409.27 g/mol
Exact Mass408.93
IUPAC Name4-iodo-3-methoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESCOc1cc(S(=O)(=O)NCc2cccs2)ccc1I
InChIInChI=1S/C12H12INO3S2/c1-17-12-7-10(4-5-11(12)13)19(15,16)14-8-9-3-2-6-18-9/h2-7,14H,8H2,1H3
InChIKeyKTSCZGINJYONLC-UHFFFAOYSA-N
XLogP2.84
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.27
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-3-ethoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 1259590
2-methoxy-N-propyl-5-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 27261015
3-methylsulfonyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 47154675
N-(thiophen-2-ylmethyl)-3-[3-(thiophen-2-ylmethylsulfamoyl)phenyl]sulfonylbenzenesulfonamide
CID 3453501
4-bromo-3-propoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 9267851
2,5-dimethoxy-4-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 6457434
4-(2-methoxyethoxy)-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 35299415
2,4-dimethoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 19682467
3-butoxy-4-chloro-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 35202750
3-hydroxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 81258558
3-amino-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 4713669
5-ethyl-2-methoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 9267842

Frequently Asked Questions

What is the IUPAC name of 4-iodo-3-methoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-iodo-3-methoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide (CID 35202847) is 4-iodo-3-methoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-iodo-3-methoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-iodo-3-methoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide is COc1cc(S(=O)(=O)NCc2cccs2)ccc1I.
What is the InChIKey of 4-iodo-3-methoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The InChIKey is KTSCZGINJYONLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12INO3S2/c1-17-12-7-10(4-5-11(12)13)19(15,16)14-8-9-3-2-6-18-9/h2-7,14H,8H2,1H3.
What are the key properties of 4-iodo-3-methoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide?
4-iodo-3-methoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide has a molecular weight of 409.27 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-3-methoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 35202847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).