N-butan-2-yl-4-(ethylamino)-N-(2-methoxyethyl)benzenesulfonamide

C15H26N2O3S — CID 62157610

IUPACN-butan-2-yl-4-(ethylamino)-N-(2-methoxyethyl)benzenesulfonamide
SMILESCCNc1ccc(S(=O)(=O)N(CCOC)C(C)CC)cc1
InChIInChI=1S/C15H26N2O3S/c1-5-13(3)17(11-12-20-4)21(18,19)15-9-7-14(8-10-15)16-6-2/h7-10,13,16H,5-6,11-12H2,1-4H3
InChIKeyKKIIMEFFNWPEHY-UHFFFAOYSA-N
MW314.45 g/mol
LogP2.55
Rot. Bonds9

About N-butan-2-yl-4-(ethylamino)-N-(2-methoxyethyl)benzenesulfonamide

N-butan-2-yl-4-(ethylamino)-N-(2-methoxyethyl)benzenesulfonamide (PubChem CID 62157610) has the molecular formula C15H26N2O3S and a molecular weight of 314.45 g/mol. Its IUPAC name is N-butan-2-yl-4-(ethylamino)-N-(2-methoxyethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-butan-2-yl-4-(ethylamino)-N-(2-methoxyethyl)benzenesulfonamide
PubChem CID62157610
Molecular FormulaC15H26N2O3S
Molecular Weight314.45 g/mol
Exact Mass314.17
IUPAC NameN-butan-2-yl-4-(ethylamino)-N-(2-methoxyethyl)benzenesulfonamide
SMILESCCNc1ccc(S(=O)(=O)N(CCOC)C(C)CC)cc1
InChIInChI=1S/C15H26N2O3S/c1-5-13(3)17(11-12-20-4)21(18,19)15-9-7-14(8-10-15)16-6-2/h7-10,13,16H,5-6,11-12H2,1-4H3
InChIKeyKKIIMEFFNWPEHY-UHFFFAOYSA-N
XLogP2.55
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-(ethylamino)-N-(2-methoxyethyl)benzenesulfonamide?
The IUPAC name of N-butan-2-yl-4-(ethylamino)-N-(2-methoxyethyl)benzenesulfonamide (CID 62157610) is N-butan-2-yl-4-(ethylamino)-N-(2-methoxyethyl)benzenesulfonamide.
What is the SMILES notation for N-butan-2-yl-4-(ethylamino)-N-(2-methoxyethyl)benzenesulfonamide?
The canonical SMILES for N-butan-2-yl-4-(ethylamino)-N-(2-methoxyethyl)benzenesulfonamide is CCNc1ccc(S(=O)(=O)N(CCOC)C(C)CC)cc1.
What is the InChIKey of N-butan-2-yl-4-(ethylamino)-N-(2-methoxyethyl)benzenesulfonamide?
The InChIKey is KKIIMEFFNWPEHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3S/c1-5-13(3)17(11-12-20-4)21(18,19)15-9-7-14(8-10-15)16-6-2/h7-10,13,16H,5-6,11-12H2,1-4H3.
What are the key properties of N-butan-2-yl-4-(ethylamino)-N-(2-methoxyethyl)benzenesulfonamide?
N-butan-2-yl-4-(ethylamino)-N-(2-methoxyethyl)benzenesulfonamide has a molecular weight of 314.45 g/mol, XLogP of 2.55, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4-(ethylamino)-N-(2-methoxyethyl)benzenesulfonamide is sourced from PubChem (CID 62157610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).