2-iodo-5-[[3-(sulfamoylamino)anilino]methyl]furan

C11H12IN3O3S — CID 43790228

IUPAC2-iodo-5-[[3-(sulfamoylamino)anilino]methyl]furan
SMILESNS(=O)(=O)Nc1cccc(NCc2ccc(I)o2)c1
InChIInChI=1S/C11H12IN3O3S/c12-11-5-4-10(18-11)7-14-8-2-1-3-9(6-8)15-19(13,16)17/h1-6,14-15H,7H2,(H2,13,16,17)
InChIKeyHHLGRUSXPMOVDM-UHFFFAOYSA-N
MW393.21 g/mol
LogP2.11
Rot. Bonds5

About 2-iodo-5-[[3-(sulfamoylamino)anilino]methyl]furan

2-iodo-5-[[3-(sulfamoylamino)anilino]methyl]furan (PubChem CID 43790228) has the molecular formula C11H12IN3O3S and a molecular weight of 393.21 g/mol. Its IUPAC name is 2-iodo-5-[[3-(sulfamoylamino)anilino]methyl]furan.

Molecular Properties

Compound Name2-iodo-5-[[3-(sulfamoylamino)anilino]methyl]furan
PubChem CID43790228
Molecular FormulaC11H12IN3O3S
Molecular Weight393.21 g/mol
Exact Mass392.96
IUPAC Name2-iodo-5-[[3-(sulfamoylamino)anilino]methyl]furan
SMILESNS(=O)(=O)Nc1cccc(NCc2ccc(I)o2)c1
InChIInChI=1S/C11H12IN3O3S/c12-11-5-4-10(18-11)7-14-8-2-1-3-9(6-8)15-19(13,16)17/h1-6,14-15H,7H2,(H2,13,16,17)
InChIKeyHHLGRUSXPMOVDM-UHFFFAOYSA-N
XLogP2.11
TPSA97.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.21
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-N-[(5-iodofuran-2-yl)methyl]-3-N,3-N-dimethylbenzene-1,3-diamine
CID 113297515
2-bromo-5-[[3-(sulfamoylamino)anilino]methyl]thiophene
CID 43742009
1-(2,2-dimethylpropylamino)-3-(sulfamoylamino)benzene
CID 61323721
4-ethylsulfonyl-N-[(5-iodofuran-2-yl)methyl]aniline
CID 43782384
3-[(5-iodofuran-2-yl)methylamino]-N-propan-2-ylbenzamide
CID 43783342
3,4-difluoro-N-[(5-iodofuran-2-yl)methyl]aniline
CID 43761592
N-[[3-[(5-iodofuran-2-yl)methylamino]phenyl]methyl]-N-methylacetamide
CID 43786918
N-cyclopropyl-3-[(5-iodofuran-2-yl)methylamino]benzamide
CID 43768412
1-(cyclopentylmethylamino)-3-(sulfamoylamino)benzene
CID 62069827
N-[(5-iodofuran-2-yl)methyl]-3-(1H-pyrazol-5-yl)aniline
CID 43790937
2-methyl-5-[[3-(sulfamoylamino)anilino]methyl]-1,3-thiazole
CID 54868489
N-[3-[(5-nitrofuran-2-yl)methylamino]phenyl]methanesulfonamide
CID 43771752

Frequently Asked Questions

What is the IUPAC name of 2-iodo-5-[[3-(sulfamoylamino)anilino]methyl]furan?
The IUPAC name of 2-iodo-5-[[3-(sulfamoylamino)anilino]methyl]furan (CID 43790228) is 2-iodo-5-[[3-(sulfamoylamino)anilino]methyl]furan.
What is the SMILES notation for 2-iodo-5-[[3-(sulfamoylamino)anilino]methyl]furan?
The canonical SMILES for 2-iodo-5-[[3-(sulfamoylamino)anilino]methyl]furan is NS(=O)(=O)Nc1cccc(NCc2ccc(I)o2)c1.
What is the InChIKey of 2-iodo-5-[[3-(sulfamoylamino)anilino]methyl]furan?
The InChIKey is HHLGRUSXPMOVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12IN3O3S/c12-11-5-4-10(18-11)7-14-8-2-1-3-9(6-8)15-19(13,16)17/h1-6,14-15H,7H2,(H2,13,16,17).
What are the key properties of 2-iodo-5-[[3-(sulfamoylamino)anilino]methyl]furan?
2-iodo-5-[[3-(sulfamoylamino)anilino]methyl]furan has a molecular weight of 393.21 g/mol, XLogP of 2.11, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-5-[[3-(sulfamoylamino)anilino]methyl]furan is sourced from PubChem (CID 43790228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).