4-amino-2-chloro-N-propan-2-yl-N-propylbenzenesulfonamide

C12H19ClN2O2S — CID 43269143

IUPAC4-amino-2-chloro-N-propan-2-yl-N-propylbenzenesulfonamide
SMILESCCCN(C(C)C)S(=O)(=O)c1ccc(N)cc1Cl
InChIInChI=1S/C12H19ClN2O2S/c1-4-7-15(9(2)3)18(16,17)12-6-5-10(14)8-11(12)13/h5-6,8-9H,4,7,14H2,1-3H3
InChIKeyNMBWFPXYXGPUCA-UHFFFAOYSA-N
MW290.82 g/mol
LogP2.73
Rot. Bonds5

About 4-amino-2-chloro-N-propan-2-yl-N-propylbenzenesulfonamide

4-amino-2-chloro-N-propan-2-yl-N-propylbenzenesulfonamide (PubChem CID 43269143) has the molecular formula C12H19ClN2O2S and a molecular weight of 290.82 g/mol. Its IUPAC name is 4-amino-2-chloro-N-propan-2-yl-N-propylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-2-chloro-N-propan-2-yl-N-propylbenzenesulfonamide
PubChem CID43269143
Molecular FormulaC12H19ClN2O2S
Molecular Weight290.82 g/mol
Exact Mass290.09
IUPAC Name4-amino-2-chloro-N-propan-2-yl-N-propylbenzenesulfonamide
SMILESCCCN(C(C)C)S(=O)(=O)c1ccc(N)cc1Cl
InChIInChI=1S/C12H19ClN2O2S/c1-4-7-15(9(2)3)18(16,17)12-6-5-10(14)8-11(12)13/h5-6,8-9H,4,7,14H2,1-3H3
InChIKeyNMBWFPXYXGPUCA-UHFFFAOYSA-N
XLogP2.73
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.82
LogP ≤ 52.73
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-ethyl-N-propan-2-ylbenzenesulfonamide
CID 43265441
3-chloro-4-pentan-3-ylsulfonylaniline
CID 81181473
4-amino-N-butyl-2-chloro-N-(2-hydroxyethyl)benzenesulfonamide
CID 61111272
4-amino-2-chloro-N,N-bis(2-hydroxyethyl)benzenesulfonamide
CID 61139448
2-amino-4-chloro-N-pentyl-N-propan-2-ylbenzenesulfonamide
CID 63401799
4-amino-2-cyano-N-pentyl-N-propan-2-ylbenzenesulfonamide
CID 61112424
4-amino-2-chloro-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 60891916
4-amino-2-bromo-N-(2-hydroxyethyl)-N-propan-2-ylbenzenesulfonamide
CID 43577739
4-amino-2-chloro-N-(2-ethoxyethyl)-N-ethylbenzenesulfonamide
CID 63696287
4-amino-2-chloro-N-(2-cyanoethyl)-N-ethylbenzenesulfonamide
CID 61138325
2-N-propan-2-yl-2-N-propylbenzene-1,2-disulfonamide
CID 43269908
2-[(4-amino-2-chlorophenyl)sulfonyl-ethylamino]-N-propan-2-ylacetamide
CID 61127317

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-chloro-N-propan-2-yl-N-propylbenzenesulfonamide?
The IUPAC name of 4-amino-2-chloro-N-propan-2-yl-N-propylbenzenesulfonamide (CID 43269143) is 4-amino-2-chloro-N-propan-2-yl-N-propylbenzenesulfonamide.
What is the SMILES notation for 4-amino-2-chloro-N-propan-2-yl-N-propylbenzenesulfonamide?
The canonical SMILES for 4-amino-2-chloro-N-propan-2-yl-N-propylbenzenesulfonamide is CCCN(C(C)C)S(=O)(=O)c1ccc(N)cc1Cl.
What is the InChIKey of 4-amino-2-chloro-N-propan-2-yl-N-propylbenzenesulfonamide?
The InChIKey is NMBWFPXYXGPUCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O2S/c1-4-7-15(9(2)3)18(16,17)12-6-5-10(14)8-11(12)13/h5-6,8-9H,4,7,14H2,1-3H3.
What are the key properties of 4-amino-2-chloro-N-propan-2-yl-N-propylbenzenesulfonamide?
4-amino-2-chloro-N-propan-2-yl-N-propylbenzenesulfonamide has a molecular weight of 290.82 g/mol, XLogP of 2.73, 5 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-propan-2-yl-N-propylbenzenesulfonamide is sourced from PubChem (CID 43269143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).