2-(ethylamino)-N-(3-ethylpentan-2-yl)benzenesulfonamide

C15H26N2O2S — CID 63838250

IUPAC2-(ethylamino)-N-(3-ethylpentan-2-yl)benzenesulfonamide
SMILESCCNc1ccccc1S(=O)(=O)NC(C)C(CC)CC
InChIInChI=1S/C15H26N2O2S/c1-5-13(6-2)12(4)17-20(18,19)15-11-9-8-10-14(15)16-7-3/h8-13,16-17H,5-7H2,1-4H3
InChIKeyAEHHCCOCOLBGKN-UHFFFAOYSA-N
MW298.45 g/mol
LogP3.22
Rot. Bonds8

About 2-(ethylamino)-N-(3-ethylpentan-2-yl)benzenesulfonamide

2-(ethylamino)-N-(3-ethylpentan-2-yl)benzenesulfonamide (PubChem CID 63838250) has the molecular formula C15H26N2O2S and a molecular weight of 298.45 g/mol. Its IUPAC name is 2-(ethylamino)-N-(3-ethylpentan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-(ethylamino)-N-(3-ethylpentan-2-yl)benzenesulfonamide
PubChem CID63838250
Molecular FormulaC15H26N2O2S
Molecular Weight298.45 g/mol
Exact Mass298.17
IUPAC Name2-(ethylamino)-N-(3-ethylpentan-2-yl)benzenesulfonamide
SMILESCCNc1ccccc1S(=O)(=O)NC(C)C(CC)CC
InChIInChI=1S/C15H26N2O2S/c1-5-13(6-2)12(4)17-20(18,19)15-11-9-8-10-14(15)16-7-3/h8-13,16-17H,5-7H2,1-4H3
InChIKeyAEHHCCOCOLBGKN-UHFFFAOYSA-N
XLogP3.22
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-ethylpentan-2-yl)naphthalene-1-sulfonamide
CID 114795805
N-(3-ethylpentan-2-yl)-2-(methylaminomethyl)benzenesulfonamide
CID 106063357
2-(pentan-3-ylamino)-N-propan-2-ylbenzenesulfonamide
CID 43454588
2-(2,2-difluoroethylamino)-N-propan-2-ylbenzenesulfonamide
CID 113303827
2-[(3-ethyl-2-hydroxypentyl)amino]-N-methylbenzenesulfonamide
CID 106287402
N-ethyl-2-(2-hydroxypropylamino)benzenesulfonamide
CID 43500232
N-benzyl-2-(ethylamino)benzenesulfonamide
CID 62148548
N-propan-2-yl-2-[2-(propan-2-ylamino)ethylamino]benzenesulfonamide
CID 62663937
2-(ethylamino)-N-pentylbenzenesulfonamide
CID 62162464
2-[(3-chloro-2-hydroxypropyl)amino]-N-propan-2-ylbenzenesulfonamide
CID 168641055
2-(ethylaminomethyl)-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 106053747
N-ethyl-2-propylsulfonylaniline
CID 43453634

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-N-(3-ethylpentan-2-yl)benzenesulfonamide?
The IUPAC name of 2-(ethylamino)-N-(3-ethylpentan-2-yl)benzenesulfonamide (CID 63838250) is 2-(ethylamino)-N-(3-ethylpentan-2-yl)benzenesulfonamide.
What is the SMILES notation for 2-(ethylamino)-N-(3-ethylpentan-2-yl)benzenesulfonamide?
The canonical SMILES for 2-(ethylamino)-N-(3-ethylpentan-2-yl)benzenesulfonamide is CCNc1ccccc1S(=O)(=O)NC(C)C(CC)CC.
What is the InChIKey of 2-(ethylamino)-N-(3-ethylpentan-2-yl)benzenesulfonamide?
The InChIKey is AEHHCCOCOLBGKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S/c1-5-13(6-2)12(4)17-20(18,19)15-11-9-8-10-14(15)16-7-3/h8-13,16-17H,5-7H2,1-4H3.
What are the key properties of 2-(ethylamino)-N-(3-ethylpentan-2-yl)benzenesulfonamide?
2-(ethylamino)-N-(3-ethylpentan-2-yl)benzenesulfonamide has a molecular weight of 298.45 g/mol, XLogP of 3.22, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-(3-ethylpentan-2-yl)benzenesulfonamide is sourced from PubChem (CID 63838250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).