2-amino-4-cyano-N-(2-methoxypropyl)benzenesulfonamide

C11H15N3O3S — CID 102694330

IUPAC2-amino-4-cyano-N-(2-methoxypropyl)benzenesulfonamide
SMILESCOC(C)CNS(=O)(=O)c1ccc(C#N)cc1N
InChIInChI=1S/C11H15N3O3S/c1-8(17-2)7-14-18(15,16)11-4-3-9(6-12)5-10(11)13/h3-5,8,14H,7,13H2,1-2H3
InChIKeyUMNFTVXSTNNDHJ-UHFFFAOYSA-N
MW269.33 g/mol
LogP0.45
Rot. Bonds5

About 2-amino-4-cyano-N-(2-methoxypropyl)benzenesulfonamide

2-amino-4-cyano-N-(2-methoxypropyl)benzenesulfonamide (PubChem CID 102694330) has the molecular formula C11H15N3O3S and a molecular weight of 269.33 g/mol. Its IUPAC name is 2-amino-4-cyano-N-(2-methoxypropyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-cyano-N-(2-methoxypropyl)benzenesulfonamide
PubChem CID102694330
Molecular FormulaC11H15N3O3S
Molecular Weight269.33 g/mol
Exact Mass269.08
IUPAC Name2-amino-4-cyano-N-(2-methoxypropyl)benzenesulfonamide
SMILESCOC(C)CNS(=O)(=O)c1ccc(C#N)cc1N
InChIInChI=1S/C11H15N3O3S/c1-8(17-2)7-14-18(15,16)11-4-3-9(6-12)5-10(11)13/h3-5,8,14H,7,13H2,1-2H3
InChIKeyUMNFTVXSTNNDHJ-UHFFFAOYSA-N
XLogP0.45
TPSA105.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-amino-4-cyano-N-(2-methoxypropyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-4-cyano-N-(2-methoxypropyl)benzenesulfonamide
CID 102697491
3-amino-4-(2-methoxypropylsulfamoyl)benzoic acid
CID 102694397
2-[(2-amino-4-cyanophenyl)sulfonylamino]-N-methylacetamide
CID 64899773
2-amino-4-cyano-N-(5-methylhexan-2-yl)benzenesulfonamide
CID 64900647
2-amino-4-cyano-N-(3-hydroxy-2,2-dimethylpropyl)benzenesulfonamide
CID 115357947
2-amino-4-cyano-N-octylbenzenesulfonamide
CID 115566069
2-amino-4-cyano-N-(1-methoxybutan-2-yl)benzenesulfonamide
CID 64897655
1-(3-cyanophenyl)-N-(2-methoxypropyl)methanesulfonamide
CID 102697469
tert-butyl N-[2-[(2-amino-4-cyanophenyl)sulfonylamino]ethyl]carbamate
CID 104932801
2-amino-4-cyano-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzenesulfonamide
CID 64897437
3-[(2-amino-4-cyanophenyl)sulfonylamino]-N,2,2-trimethylpropanamide
CID 106274931
2-amino-4-cyano-N-[[1-(dimethylamino)cyclobutyl]methyl]benzenesulfonamide
CID 105413667

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-cyano-N-(2-methoxypropyl)benzenesulfonamide?
The IUPAC name of 2-amino-4-cyano-N-(2-methoxypropyl)benzenesulfonamide (CID 102694330) is 2-amino-4-cyano-N-(2-methoxypropyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-4-cyano-N-(2-methoxypropyl)benzenesulfonamide?
The canonical SMILES for 2-amino-4-cyano-N-(2-methoxypropyl)benzenesulfonamide is COC(C)CNS(=O)(=O)c1ccc(C#N)cc1N.
What is the InChIKey of 2-amino-4-cyano-N-(2-methoxypropyl)benzenesulfonamide?
The InChIKey is UMNFTVXSTNNDHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3S/c1-8(17-2)7-14-18(15,16)11-4-3-9(6-12)5-10(11)13/h3-5,8,14H,7,13H2,1-2H3.
What are the key properties of 2-amino-4-cyano-N-(2-methoxypropyl)benzenesulfonamide?
2-amino-4-cyano-N-(2-methoxypropyl)benzenesulfonamide has a molecular weight of 269.33 g/mol, XLogP of 0.45, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-cyano-N-(2-methoxypropyl)benzenesulfonamide is sourced from PubChem (CID 102694330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).