4-amino-2-chloro-N-ethyl-N-propan-2-ylbenzenesulfonamide

C11H17ClN2O2S — CID 43265441

IUPAC4-amino-2-chloro-N-ethyl-N-propan-2-ylbenzenesulfonamide
SMILESCCN(C(C)C)S(=O)(=O)c1ccc(N)cc1Cl
InChIInChI=1S/C11H17ClN2O2S/c1-4-14(8(2)3)17(15,16)11-6-5-9(13)7-10(11)12/h5-8H,4,13H2,1-3H3
InChIKeyKWUJOSZMUAZGDV-UHFFFAOYSA-N
MW276.79 g/mol
LogP2.34
Rot. Bonds4

About 4-amino-2-chloro-N-ethyl-N-propan-2-ylbenzenesulfonamide

4-amino-2-chloro-N-ethyl-N-propan-2-ylbenzenesulfonamide (PubChem CID 43265441) has the molecular formula C11H17ClN2O2S and a molecular weight of 276.79 g/mol. Its IUPAC name is 4-amino-2-chloro-N-ethyl-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-2-chloro-N-ethyl-N-propan-2-ylbenzenesulfonamide
PubChem CID43265441
Molecular FormulaC11H17ClN2O2S
Molecular Weight276.79 g/mol
Exact Mass276.07
IUPAC Name4-amino-2-chloro-N-ethyl-N-propan-2-ylbenzenesulfonamide
SMILESCCN(C(C)C)S(=O)(=O)c1ccc(N)cc1Cl
InChIInChI=1S/C11H17ClN2O2S/c1-4-14(8(2)3)17(15,16)11-6-5-9(13)7-10(11)12/h5-8H,4,13H2,1-3H3
InChIKeyKWUJOSZMUAZGDV-UHFFFAOYSA-N
XLogP2.34
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.79
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2-chloro-N-propan-2-yl-N-propylbenzenesulfonamide
CID 43269143
5-amino-N-ethyl-2-fluoro-N-propan-2-ylbenzenesulfonamide
CID 43265424
2-chloro-4-cyano-N-ethyl-N-propan-2-ylbenzenesulfonamide
CID 103989310
3-chloro-4-pentan-3-ylsulfonylaniline
CID 81181473
4-amino-2-chloro-N-ethyl-N-(4-methylphenyl)benzenesulfonamide
CID 62001633
2-[(4-amino-2-chlorophenyl)sulfonyl-ethylamino]-N-propan-2-ylacetamide
CID 61127317
4-amino-2-chloro-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 60891916
2-[(4-amino-2-chlorophenyl)sulfonyl-ethylamino]-N,N-dimethylacetamide
CID 43587561
4-amino-2-chloro-N-cyclohexyl-N-ethylbenzenesulfonamide
CID 43107717
4-amino-2-chloro-N-(2-cyanoethyl)-N-ethylbenzenesulfonamide
CID 61138325
4-amino-2-chloro-N-(2-ethoxyethyl)-N-ethylbenzenesulfonamide
CID 63696287
4-amino-2-chloro-N,N-bis(2-hydroxyethyl)benzenesulfonamide
CID 61139448

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-chloro-N-ethyl-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 4-amino-2-chloro-N-ethyl-N-propan-2-ylbenzenesulfonamide (CID 43265441) is 4-amino-2-chloro-N-ethyl-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-amino-2-chloro-N-ethyl-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 4-amino-2-chloro-N-ethyl-N-propan-2-ylbenzenesulfonamide is CCN(C(C)C)S(=O)(=O)c1ccc(N)cc1Cl.
What is the InChIKey of 4-amino-2-chloro-N-ethyl-N-propan-2-ylbenzenesulfonamide?
The InChIKey is KWUJOSZMUAZGDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O2S/c1-4-14(8(2)3)17(15,16)11-6-5-9(13)7-10(11)12/h5-8H,4,13H2,1-3H3.
What are the key properties of 4-amino-2-chloro-N-ethyl-N-propan-2-ylbenzenesulfonamide?
4-amino-2-chloro-N-ethyl-N-propan-2-ylbenzenesulfonamide has a molecular weight of 276.79 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-chloro-N-ethyl-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 43265441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).