3-amino-5-iodo-N-propan-2-ylsulfonylbenzamide

C10H13IN2O3S — CID 112750948

IUPAC3-amino-5-iodo-N-propan-2-ylsulfonylbenzamide
SMILESCC(C)S(=O)(=O)NC(=O)c1cc(N)cc(I)c1
InChIInChI=1S/C10H13IN2O3S/c1-6(2)17(15,16)13-10(14)7-3-8(11)5-9(12)4-7/h3-6H,12H2,1-2H3,(H,13,14)
InChIKeyTWTMMDKJUNPNIY-UHFFFAOYSA-N
MW368.20 g/mol
LogP1.34
Rot. Bonds3

About 3-amino-5-iodo-N-propan-2-ylsulfonylbenzamide

3-amino-5-iodo-N-propan-2-ylsulfonylbenzamide (PubChem CID 112750948) has the molecular formula C10H13IN2O3S and a molecular weight of 368.20 g/mol. Its IUPAC name is 3-amino-5-iodo-N-propan-2-ylsulfonylbenzamide.

Molecular Properties

Compound Name3-amino-5-iodo-N-propan-2-ylsulfonylbenzamide
PubChem CID112750948
Molecular FormulaC10H13IN2O3S
Molecular Weight368.20 g/mol
Exact Mass367.97
IUPAC Name3-amino-5-iodo-N-propan-2-ylsulfonylbenzamide
SMILESCC(C)S(=O)(=O)NC(=O)c1cc(N)cc(I)c1
InChIInChI=1S/C10H13IN2O3S/c1-6(2)17(15,16)13-10(14)7-3-8(11)5-9(12)4-7/h3-6H,12H2,1-2H3,(H,13,14)
InChIKeyTWTMMDKJUNPNIY-UHFFFAOYSA-N
XLogP1.34
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.20
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-methyl-N-propan-2-ylsulfonylbenzamide
CID 103307891
3-amino-5-iodo-N-(5-methylhexyl)benzamide
CID 112750898
3-amino-5-iodo-N-(4-methyl-1,3-oxazol-2-yl)benzamide
CID 112750930
3-amino-5-iodo-N-(2-propylcyclopropyl)benzamide
CID 112750965
3-amino-5-iodo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 112750831
3,5-diamino-N-methyl-N-propan-2-ylbenzamide
CID 61089982
3-amino-N-(2,5-difluoro-4-methylphenyl)-5-methylbenzamide
CID 103584318
3-amino-N-(1-amino-1-oxopropan-2-yl)-5-methylsulfonylbenzamide
CID 55010113
3,5-diamino-N-(2,3-dimethylbutyl)benzamide
CID 64570999
3,5-diamino-N-(2-propan-2-ylphenyl)benzamide
CID 61092144
N-propan-2-ylsulfonylacetamide
CID 18730103
3,5-diamino-N-(3-methylpentan-2-yl)benzamide
CID 54950045

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-iodo-N-propan-2-ylsulfonylbenzamide?
The IUPAC name of 3-amino-5-iodo-N-propan-2-ylsulfonylbenzamide (CID 112750948) is 3-amino-5-iodo-N-propan-2-ylsulfonylbenzamide.
What is the SMILES notation for 3-amino-5-iodo-N-propan-2-ylsulfonylbenzamide?
The canonical SMILES for 3-amino-5-iodo-N-propan-2-ylsulfonylbenzamide is CC(C)S(=O)(=O)NC(=O)c1cc(N)cc(I)c1.
What is the InChIKey of 3-amino-5-iodo-N-propan-2-ylsulfonylbenzamide?
The InChIKey is TWTMMDKJUNPNIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13IN2O3S/c1-6(2)17(15,16)13-10(14)7-3-8(11)5-9(12)4-7/h3-6H,12H2,1-2H3,(H,13,14).
What are the key properties of 3-amino-5-iodo-N-propan-2-ylsulfonylbenzamide?
3-amino-5-iodo-N-propan-2-ylsulfonylbenzamide has a molecular weight of 368.20 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-iodo-N-propan-2-ylsulfonylbenzamide is sourced from PubChem (CID 112750948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).