2-amino-5-chloro-N-[2-(dimethylamino)propyl]benzenesulfonamide

C11H18ClN3O2S — CID 61127626

IUPAC2-amino-5-chloro-N-[2-(dimethylamino)propyl]benzenesulfonamide
SMILESCC(CNS(=O)(=O)c1cc(Cl)ccc1N)N(C)C
InChIInChI=1S/C11H18ClN3O2S/c1-8(15(2)3)7-14-18(16,17)11-6-9(12)4-5-10(11)13/h4-6,8,14H,7,13H2,1-3H3
InChIKeyGJLWESTYZCLBBL-UHFFFAOYSA-N
MW291.80 g/mol
LogP1.15
Rot. Bonds5

About 2-amino-5-chloro-N-[2-(dimethylamino)propyl]benzenesulfonamide

2-amino-5-chloro-N-[2-(dimethylamino)propyl]benzenesulfonamide (PubChem CID 61127626) has the molecular formula C11H18ClN3O2S and a molecular weight of 291.80 g/mol. Its IUPAC name is 2-amino-5-chloro-N-[2-(dimethylamino)propyl]benzenesulfonamide.

Molecular Properties

Compound Name2-amino-5-chloro-N-[2-(dimethylamino)propyl]benzenesulfonamide
PubChem CID61127626
Molecular FormulaC11H18ClN3O2S
Molecular Weight291.80 g/mol
Exact Mass291.08
IUPAC Name2-amino-5-chloro-N-[2-(dimethylamino)propyl]benzenesulfonamide
SMILESCC(CNS(=O)(=O)c1cc(Cl)ccc1N)N(C)C
InChIInChI=1S/C11H18ClN3O2S/c1-8(15(2)3)7-14-18(16,17)11-6-9(12)4-5-10(11)13/h4-6,8,14H,7,13H2,1-3H3
InChIKeyGJLWESTYZCLBBL-UHFFFAOYSA-N
XLogP1.15
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.80
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,5-dichloro-N-[(2S)-2-(dimethylamino)propyl]benzenesulfonamide
CID 34132352
2-amino-5-chloro-N-(2-hydroxy-4-methylpentyl)benzenesulfonamide
CID 107150851
2-amino-5-chloro-N-(2-cyclopropylpropyl)benzenesulfonamide
CID 113474885
5-amino-2-chloro-N-[2-(dimethylamino)propyl]-4-fluorobenzenesulfonamide
CID 61127828
2-amino-5-bromo-N-[2-(dimethylamino)propyl]-4-fluorobenzenesulfonamide
CID 106491580
2-amino-4,6-dichloro-N-[2-(dimethylamino)propyl]benzenesulfonamide
CID 61126235
2-[(2-amino-5-chlorophenyl)sulfonylamino]-N,N-dimethylacetamide
CID 54888759
2-amino-5-chloro-N-propan-2-ylbenzenesulfonamide
CID 60985820
2-amino-5-chloro-N-hexylbenzenesulfonamide
CID 61108372
2-amino-5-chloro-N-pentan-2-ylbenzenesulfonamide
CID 54888470
3-[(2-amino-5-chlorophenyl)sulfonylamino]-N,N-dimethylpropanamide
CID 61127654
3-[2-[(2-amino-5-chlorophenyl)sulfonylamino]ethyl]-1,1-dimethylurea
CID 83108543

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-chloro-N-[2-(dimethylamino)propyl]benzenesulfonamide?
The IUPAC name of 2-amino-5-chloro-N-[2-(dimethylamino)propyl]benzenesulfonamide (CID 61127626) is 2-amino-5-chloro-N-[2-(dimethylamino)propyl]benzenesulfonamide.
What is the SMILES notation for 2-amino-5-chloro-N-[2-(dimethylamino)propyl]benzenesulfonamide?
The canonical SMILES for 2-amino-5-chloro-N-[2-(dimethylamino)propyl]benzenesulfonamide is CC(CNS(=O)(=O)c1cc(Cl)ccc1N)N(C)C.
What is the InChIKey of 2-amino-5-chloro-N-[2-(dimethylamino)propyl]benzenesulfonamide?
The InChIKey is GJLWESTYZCLBBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3O2S/c1-8(15(2)3)7-14-18(16,17)11-6-9(12)4-5-10(11)13/h4-6,8,14H,7,13H2,1-3H3.
What are the key properties of 2-amino-5-chloro-N-[2-(dimethylamino)propyl]benzenesulfonamide?
2-amino-5-chloro-N-[2-(dimethylamino)propyl]benzenesulfonamide has a molecular weight of 291.80 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-chloro-N-[2-(dimethylamino)propyl]benzenesulfonamide is sourced from PubChem (CID 61127626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).