5-amino-2-chloro-N-(oxolan-2-ylmethyl)benzenesulfonamide

C11H15ClN2O3S — CID 43100522

IUPAC5-amino-2-chloro-N-(oxolan-2-ylmethyl)benzenesulfonamide
SMILESNc1ccc(Cl)c(S(=O)(=O)NCC2CCCO2)c1
InChIInChI=1S/C11H15ClN2O3S/c12-10-4-3-8(13)6-11(10)18(15,16)14-7-9-2-1-5-17-9/h3-4,6,9,14H,1-2,5,7,13H2
InChIKeyQWGVCAXSIKOJCY-UHFFFAOYSA-N
MW290.77 g/mol
LogP1.38
Rot. Bonds4

About 5-amino-2-chloro-N-(oxolan-2-ylmethyl)benzenesulfonamide

5-amino-2-chloro-N-(oxolan-2-ylmethyl)benzenesulfonamide (PubChem CID 43100522) has the molecular formula C11H15ClN2O3S and a molecular weight of 290.77 g/mol. Its IUPAC name is 5-amino-2-chloro-N-(oxolan-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-chloro-N-(oxolan-2-ylmethyl)benzenesulfonamide
PubChem CID43100522
Molecular FormulaC11H15ClN2O3S
Molecular Weight290.77 g/mol
Exact Mass290.05
IUPAC Name5-amino-2-chloro-N-(oxolan-2-ylmethyl)benzenesulfonamide
SMILESNc1ccc(Cl)c(S(=O)(=O)NCC2CCCO2)c1
InChIInChI=1S/C11H15ClN2O3S/c12-10-4-3-8(13)6-11(10)18(15,16)14-7-9-2-1-5-17-9/h3-4,6,9,14H,1-2,5,7,13H2
InChIKeyQWGVCAXSIKOJCY-UHFFFAOYSA-N
XLogP1.38
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.77
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-amino-2-chloro-N-(oxolan-2-ylmethyl)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

2,4,5-trichloro-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 2897340
4-chloro-3-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzoate
CID 2095487
5-amino-2-chloro-N-(cyclopropylmethyl)benzenesulfonamide
CID 29031468
5-amino-2-chloro-N-(cyclopentylmethyl)benzenesulfonamide
CID 43370966
4-amino-2-methyl-N-(oxan-2-ylmethyl)benzenesulfonamide
CID 55014134
3-amino-4-chloro-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 43098597
4-bromo-2-chloro-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 42999359
5-chloro-2-fluoro-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 110759337
3-amino-4-chloro-N-(oxan-2-ylmethyl)benzenesulfonamide
CID 55014501
2-amino-5-fluoro-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 54888363
5-amino-N-(oxan-2-ylmethyl)-1H-indole-3-sulfonamide
CID 64852852
4-chloro-N-(3-methylbutyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 46514472

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-chloro-N-(oxolan-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 5-amino-2-chloro-N-(oxolan-2-ylmethyl)benzenesulfonamide (CID 43100522) is 5-amino-2-chloro-N-(oxolan-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2-chloro-N-(oxolan-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 5-amino-2-chloro-N-(oxolan-2-ylmethyl)benzenesulfonamide is Nc1ccc(Cl)c(S(=O)(=O)NCC2CCCO2)c1.
What is the InChIKey of 5-amino-2-chloro-N-(oxolan-2-ylmethyl)benzenesulfonamide?
The InChIKey is QWGVCAXSIKOJCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O3S/c12-10-4-3-8(13)6-11(10)18(15,16)14-7-9-2-1-5-17-9/h3-4,6,9,14H,1-2,5,7,13H2.
What are the key properties of 5-amino-2-chloro-N-(oxolan-2-ylmethyl)benzenesulfonamide?
5-amino-2-chloro-N-(oxolan-2-ylmethyl)benzenesulfonamide has a molecular weight of 290.77 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-chloro-N-(oxolan-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 43100522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).