N-ethyl-4-[(3-methyl-2-propan-2-ylbutyl)amino]benzenesulfonamide

C16H28N2O2S — CID 102914045

IUPACN-ethyl-4-[(3-methyl-2-propan-2-ylbutyl)amino]benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(NCC(C(C)C)C(C)C)cc1
InChIInChI=1S/C16H28N2O2S/c1-6-18-21(19,20)15-9-7-14(8-10-15)17-11-16(12(2)3)13(4)5/h7-10,12-13,16-18H,6,11H2,1-5H3
InChIKeyQAUXCMYLZXHVBL-UHFFFAOYSA-N
MW312.48 g/mol
LogP3.32
Rot. Bonds8

About N-ethyl-4-[(3-methyl-2-propan-2-ylbutyl)amino]benzenesulfonamide

N-ethyl-4-[(3-methyl-2-propan-2-ylbutyl)amino]benzenesulfonamide (PubChem CID 102914045) has the molecular formula C16H28N2O2S and a molecular weight of 312.48 g/mol. Its IUPAC name is N-ethyl-4-[(3-methyl-2-propan-2-ylbutyl)amino]benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-4-[(3-methyl-2-propan-2-ylbutyl)amino]benzenesulfonamide
PubChem CID102914045
Molecular FormulaC16H28N2O2S
Molecular Weight312.48 g/mol
Exact Mass312.19
IUPAC NameN-ethyl-4-[(3-methyl-2-propan-2-ylbutyl)amino]benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(NCC(C(C)C)C(C)C)cc1
InChIInChI=1S/C16H28N2O2S/c1-6-18-21(19,20)15-9-7-14(8-10-15)17-11-16(12(2)3)13(4)5/h7-10,12-13,16-18H,6,11H2,1-5H3
InChIKeyQAUXCMYLZXHVBL-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

4-(ethylamino)-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide
CID 102907908
N-ethyl-4-(2-methylbutylamino)benzenesulfonamide
CID 43744675
N-ethyl-4-(2-methoxypropylamino)benzenesulfonamide
CID 102699032
3-[4-(ethylsulfamoyl)anilino]-2-methylpropanoic acid
CID 62676272
4-[(3-chloro-2-hydroxypropyl)amino]-N-ethylbenzenesulfonamide
CID 168637442
4-(ethylamino)-N-(2-methylpropyl)benzenesulfonamide
CID 62149672
N-ethyl-4-(propylamino)benzenesulfonamide
CID 43453948
3-[4-(ethylsulfamoyl)anilino]-2-hydroxypropanamide
CID 106171016
4-bromo-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide
CID 102907719
N-ethyl-4-(pentan-2-ylamino)benzenesulfonamide
CID 43383375
N-ethyl-4-(3,3,3-trifluoropropylamino)benzenesulfonamide
CID 63226786
4-(cyclopropylmethylamino)-N-ethylbenzenesulfonamide
CID 43453957

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[(3-methyl-2-propan-2-ylbutyl)amino]benzenesulfonamide?
The IUPAC name of N-ethyl-4-[(3-methyl-2-propan-2-ylbutyl)amino]benzenesulfonamide (CID 102914045) is N-ethyl-4-[(3-methyl-2-propan-2-ylbutyl)amino]benzenesulfonamide.
What is the SMILES notation for N-ethyl-4-[(3-methyl-2-propan-2-ylbutyl)amino]benzenesulfonamide?
The canonical SMILES for N-ethyl-4-[(3-methyl-2-propan-2-ylbutyl)amino]benzenesulfonamide is CCNS(=O)(=O)c1ccc(NCC(C(C)C)C(C)C)cc1.
What is the InChIKey of N-ethyl-4-[(3-methyl-2-propan-2-ylbutyl)amino]benzenesulfonamide?
The InChIKey is QAUXCMYLZXHVBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2S/c1-6-18-21(19,20)15-9-7-14(8-10-15)17-11-16(12(2)3)13(4)5/h7-10,12-13,16-18H,6,11H2,1-5H3.
What are the key properties of N-ethyl-4-[(3-methyl-2-propan-2-ylbutyl)amino]benzenesulfonamide?
N-ethyl-4-[(3-methyl-2-propan-2-ylbutyl)amino]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 N-ethyl-4-[(3-methyl-2-propan-2-ylbutyl)amino]benzenesulfonamide is sourced from PubChem (CID 102914045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).