4-(ethylamino)-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide

C16H28N2O2S — CID 102907908

IUPAC4-(ethylamino)-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide
SMILESCCNc1ccc(S(=O)(=O)NCC(C(C)C)C(C)C)cc1
InChIInChI=1S/C16H28N2O2S/c1-6-17-14-7-9-15(10-8-14)21(19,20)18-11-16(12(2)3)13(4)5/h7-10,12-13,16-18H,6,11H2,1-5H3
InChIKeyBUUQRHVNYCQACO-UHFFFAOYSA-N
MW312.48 g/mol
LogP3.32
Rot. Bonds8

About 4-(ethylamino)-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide

4-(ethylamino)-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide (PubChem CID 102907908) has the molecular formula C16H28N2O2S and a molecular weight of 312.48 g/mol. Its IUPAC name is 4-(ethylamino)-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(ethylamino)-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide
PubChem CID102907908
Molecular FormulaC16H28N2O2S
Molecular Weight312.48 g/mol
Exact Mass312.19
IUPAC Name4-(ethylamino)-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide
SMILESCCNc1ccc(S(=O)(=O)NCC(C(C)C)C(C)C)cc1
InChIInChI=1S/C16H28N2O2S/c1-6-17-14-7-9-15(10-8-14)21(19,20)18-11-16(12(2)3)13(4)5/h7-10,12-13,16-18H,6,11H2,1-5H3
InChIKeyBUUQRHVNYCQACO-UHFFFAOYSA-N
XLogP3.32
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.48
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-4-[(3-methyl-2-propan-2-ylbutyl)amino]benzenesulfonamide
CID 102914045
4-(ethylamino)-N-(2-methylpropyl)benzenesulfonamide
CID 62149672
4-bromo-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide
CID 102907719
4-(ethylamino)-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 62143037
4-(ethylamino)-N-(4-methylpentyl)benzenesulfonamide
CID 63002794
2-(ethylamino)-N-(3-methyl-2-propan-2-ylbutyl)pyrimidine-5-sulfonamide
CID 102907919
N-ethyl-4-(2-methylbutylamino)benzenesulfonamide
CID 43744675
2-(ethylamino)-N-(3-methyl-2-propan-2-ylbutyl)pyridine-4-sulfonamide
CID 102907920
6-amino-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-sulfonamide
CID 102903322
N-ethyl-4-(2-methoxypropylamino)benzenesulfonamide
CID 102699032
N-(cyclopropylmethyl)-4-(ethylamino)benzenesulfonamide
CID 62149902
3-[4-(ethylsulfamoyl)anilino]-2-methylpropanoic acid
CID 62676272

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide?
The IUPAC name of 4-(ethylamino)-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide (CID 102907908) is 4-(ethylamino)-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide.
What is the SMILES notation for 4-(ethylamino)-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide?
The canonical SMILES for 4-(ethylamino)-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide is CCNc1ccc(S(=O)(=O)NCC(C(C)C)C(C)C)cc1.
What is the InChIKey of 4-(ethylamino)-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide?
The InChIKey is BUUQRHVNYCQACO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2S/c1-6-17-14-7-9-15(10-8-14)21(19,20)18-11-16(12(2)3)13(4)5/h7-10,12-13,16-18H,6,11H2,1-5H3.
What are the key properties of 4-(ethylamino)-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide?
4-(ethylamino)-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide has a molecular weight of 312.48 g/mol, XLogP of 3.32, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide is sourced from PubChem (CID 102907908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).