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

C14H23ClN2O2S — CID 63401799

IUPAC2-amino-4-chloro-N-pentyl-N-propan-2-ylbenzenesulfonamide
SMILESCCCCCN(C(C)C)S(=O)(=O)c1ccc(Cl)cc1N
InChIInChI=1S/C14H23ClN2O2S/c1-4-5-6-9-17(11(2)3)20(18,19)14-8-7-12(15)10-13(14)16/h7-8,10-11H,4-6,9,16H2,1-3H3
InChIKeyHLEQHPBUMASCNI-UHFFFAOYSA-N
MW318.87 g/mol
LogP3.51
Rot. Bonds7

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

2-amino-4-chloro-N-pentyl-N-propan-2-ylbenzenesulfonamide (PubChem CID 63401799) has the molecular formula C14H23ClN2O2S and a molecular weight of 318.87 g/mol. Its IUPAC name is 2-amino-4-chloro-N-pentyl-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-chloro-N-pentyl-N-propan-2-ylbenzenesulfonamide
PubChem CID63401799
Molecular FormulaC14H23ClN2O2S
Molecular Weight318.87 g/mol
Exact Mass318.12
IUPAC Name2-amino-4-chloro-N-pentyl-N-propan-2-ylbenzenesulfonamide
SMILESCCCCCN(C(C)C)S(=O)(=O)c1ccc(Cl)cc1N
InChIInChI=1S/C14H23ClN2O2S/c1-4-5-6-9-17(11(2)3)20(18,19)14-8-7-12(15)10-13(14)16/h7-8,10-11H,4-6,9,16H2,1-3H3
InChIKeyHLEQHPBUMASCNI-UHFFFAOYSA-N
XLogP3.51
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.87
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-2-methyl-N-pentyl-N-propan-2-ylbenzenesulfonamide
CID 61112417
4-amino-2-cyano-N-pentyl-N-propan-2-ylbenzenesulfonamide
CID 61112424
5-amino-2,3-dimethyl-N-pentyl-N-propan-2-ylbenzenesulfonamide
CID 61112413
4-amino-2-chloro-N-propan-2-yl-N-propylbenzenesulfonamide
CID 43269143
5-chloro-2-(2-methylpropylsulfonyl)aniline
CID 81175352
4-chloro-2-N-pentyl-2-N-propan-2-ylbenzene-1,2-diamine
CID 115468800
2-amino-4-chloro-N-ethyl-N-(2-ethylbutyl)benzenesulfonamide
CID 43587327
2-amino-N-ethyl-4-methoxy-N-propan-2-ylbenzenesulfonamide
CID 43265430
2-amino-4-chloro-N-ethyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 61113089
2-amino-4-chloro-N-(2-ethoxyethyl)-N-methylbenzenesulfonamide
CID 81053351
2,5-dichloro-N-(2-chloroethyl)-N-propan-2-ylbenzenesulfonamide
CID 55188022
2-amino-4-chloro-N-pentan-2-ylbenzenesulfonamide
CID 43107543

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-chloro-N-pentyl-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 2-amino-4-chloro-N-pentyl-N-propan-2-ylbenzenesulfonamide (CID 63401799) is 2-amino-4-chloro-N-pentyl-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 2-amino-4-chloro-N-pentyl-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 2-amino-4-chloro-N-pentyl-N-propan-2-ylbenzenesulfonamide is CCCCCN(C(C)C)S(=O)(=O)c1ccc(Cl)cc1N.
What is the InChIKey of 2-amino-4-chloro-N-pentyl-N-propan-2-ylbenzenesulfonamide?
The InChIKey is HLEQHPBUMASCNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2O2S/c1-4-5-6-9-17(11(2)3)20(18,19)14-8-7-12(15)10-13(14)16/h7-8,10-11H,4-6,9,16H2,1-3H3.
What are the key properties of 2-amino-4-chloro-N-pentyl-N-propan-2-ylbenzenesulfonamide?
2-amino-4-chloro-N-pentyl-N-propan-2-ylbenzenesulfonamide has a molecular weight of 318.87 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-chloro-N-pentyl-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 63401799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).