N-ethyl-4-(2-methylbutylamino)benzenesulfonamide

C13H22N2O2S — CID 43744675

IUPACN-ethyl-4-(2-methylbutylamino)benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(NCC(C)CC)cc1
InChIInChI=1S/C13H22N2O2S/c1-4-11(3)10-14-12-6-8-13(9-7-12)18(16,17)15-5-2/h6-9,11,14-15H,4-5,10H2,1-3H3
InChIKeyGCEKFGMTQKGRBJ-UHFFFAOYSA-N
MW270.40 g/mol
LogP2.44
Rot. Bonds7

About N-ethyl-4-(2-methylbutylamino)benzenesulfonamide

N-ethyl-4-(2-methylbutylamino)benzenesulfonamide (PubChem CID 43744675) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is N-ethyl-4-(2-methylbutylamino)benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-4-(2-methylbutylamino)benzenesulfonamide
PubChem CID43744675
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC NameN-ethyl-4-(2-methylbutylamino)benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(NCC(C)CC)cc1
InChIInChI=1S/C13H22N2O2S/c1-4-11(3)10-14-12-6-8-13(9-7-12)18(16,17)15-5-2/h6-9,11,14-15H,4-5,10H2,1-3H3
InChIKeyGCEKFGMTQKGRBJ-UHFFFAOYSA-N
XLogP2.44
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 52.44
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
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-(difluoromethylsulfonyl)-N-(2-methylbutyl)aniline
CID 43683861
4-(ethylamino)-N-(2-methylpropyl)benzenesulfonamide
CID 62149672
N-ethyl-4-(propylamino)benzenesulfonamide
CID 43453948
3-[4-(ethylsulfamoyl)anilino]-2-hydroxypropanamide
CID 106171016
4-(ethylamino)-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide
CID 102907908
N-methyl-4-[[2-methyl-3-(methylamino)propyl]amino]benzenesulfonamide
CID 113282613
N-ethyl-4-(pentan-2-ylamino)benzenesulfonamide
CID 43383375
4-(cyclopropylmethylamino)-N-ethylbenzenesulfonamide
CID 43453957

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(2-methylbutylamino)benzenesulfonamide?
The IUPAC name of N-ethyl-4-(2-methylbutylamino)benzenesulfonamide (CID 43744675) is N-ethyl-4-(2-methylbutylamino)benzenesulfonamide.
What is the SMILES notation for N-ethyl-4-(2-methylbutylamino)benzenesulfonamide?
The canonical SMILES for N-ethyl-4-(2-methylbutylamino)benzenesulfonamide is CCNS(=O)(=O)c1ccc(NCC(C)CC)cc1.
What is the InChIKey of N-ethyl-4-(2-methylbutylamino)benzenesulfonamide?
The InChIKey is GCEKFGMTQKGRBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-4-11(3)10-14-12-6-8-13(9-7-12)18(16,17)15-5-2/h6-9,11,14-15H,4-5,10H2,1-3H3.
What are the key properties of N-ethyl-4-(2-methylbutylamino)benzenesulfonamide?
N-ethyl-4-(2-methylbutylamino)benzenesulfonamide has a molecular weight of 270.40 g/mol, XLogP of 2.44, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(2-methylbutylamino)benzenesulfonamide is sourced from PubChem (CID 43744675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).