4-(ethylaminomethyl)-N-hexan-2-ylbenzenesulfonamide

C15H26N2O2S — CID 62199697

IUPAC4-(ethylaminomethyl)-N-hexan-2-ylbenzenesulfonamide
SMILESCCCCC(C)NS(=O)(=O)c1ccc(CNCC)cc1
InChIInChI=1S/C15H26N2O2S/c1-4-6-7-13(3)17-20(18,19)15-10-8-14(9-11-15)12-16-5-2/h8-11,13,16-17H,4-7,12H2,1-3H3
InChIKeyYLAUGCKRQNQPHS-UHFFFAOYSA-N
MW298.45 g/mol
LogP2.65
Rot. Bonds9

About 4-(ethylaminomethyl)-N-hexan-2-ylbenzenesulfonamide

4-(ethylaminomethyl)-N-hexan-2-ylbenzenesulfonamide (PubChem CID 62199697) has the molecular formula C15H26N2O2S and a molecular weight of 298.45 g/mol. Its IUPAC name is 4-(ethylaminomethyl)-N-hexan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-(ethylaminomethyl)-N-hexan-2-ylbenzenesulfonamide
PubChem CID62199697
Molecular FormulaC15H26N2O2S
Molecular Weight298.45 g/mol
Exact Mass298.17
IUPAC Name4-(ethylaminomethyl)-N-hexan-2-ylbenzenesulfonamide
SMILESCCCCC(C)NS(=O)(=O)c1ccc(CNCC)cc1
InChIInChI=1S/C15H26N2O2S/c1-4-6-7-13(3)17-20(18,19)15-10-8-14(9-11-15)12-16-5-2/h8-11,13,16-17H,4-7,12H2,1-3H3
InChIKeyYLAUGCKRQNQPHS-UHFFFAOYSA-N
XLogP2.65
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(ethylamino)-N-hexan-2-ylbenzenesulfonamide
CID 62200099
4-bromo-N-hexan-2-ylbenzenesulfonamide
CID 55050164
4-(aminomethyl)-N-octan-2-ylbenzenesulfonamide
CID 61476963
4-(methylaminomethyl)-N-(6-methylheptan-2-yl)benzenesulfonamide
CID 61470913
4-(ethylaminomethyl)-N-(2-methylpentan-3-yl)benzenesulfonamide
CID 61470642
N-(4-methoxybutan-2-yl)-4-(propylaminomethyl)benzenesulfonamide
CID 64603458
4-ethyl-N-pentan-2-ylbenzenesulfonamide
CID 19681870
4-(ethylaminomethyl)-N-(4-methylpentyl)benzenesulfonamide
CID 63003905
4-(heptan-2-ylsulfamoyl)benzoic acid
CID 43420676
4-amino-N-octan-2-ylbenzenesulfonamide
CID 61476612
4-(ethylaminomethyl)-2-methoxy-N-pentan-2-ylbenzenesulfonamide
CID 106046618
5-(hexan-2-ylsulfamoyl)-2-methylbenzoic acid
CID 62199105

Frequently Asked Questions

What is the IUPAC name of 4-(ethylaminomethyl)-N-hexan-2-ylbenzenesulfonamide?
The IUPAC name of 4-(ethylaminomethyl)-N-hexan-2-ylbenzenesulfonamide (CID 62199697) is 4-(ethylaminomethyl)-N-hexan-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-(ethylaminomethyl)-N-hexan-2-ylbenzenesulfonamide?
The canonical SMILES for 4-(ethylaminomethyl)-N-hexan-2-ylbenzenesulfonamide is CCCCC(C)NS(=O)(=O)c1ccc(CNCC)cc1.
What is the InChIKey of 4-(ethylaminomethyl)-N-hexan-2-ylbenzenesulfonamide?
The InChIKey is YLAUGCKRQNQPHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S/c1-4-6-7-13(3)17-20(18,19)15-10-8-14(9-11-15)12-16-5-2/h8-11,13,16-17H,4-7,12H2,1-3H3.
What are the key properties of 4-(ethylaminomethyl)-N-hexan-2-ylbenzenesulfonamide?
4-(ethylaminomethyl)-N-hexan-2-ylbenzenesulfonamide has a molecular weight of 298.45 g/mol, XLogP of 2.65, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylaminomethyl)-N-hexan-2-ylbenzenesulfonamide is sourced from PubChem (CID 62199697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).