4-ethyl-N-[4-(3-methylbutylamino)phenyl]benzenesulfonamide

C19H26N2O2S — CID 112985145

IUPAC4-ethyl-N-[4-(3-methylbutylamino)phenyl]benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2ccc(NCCC(C)C)cc2)cc1
InChIInChI=1S/C19H26N2O2S/c1-4-16-5-11-19(12-6-16)24(22,23)21-18-9-7-17(8-10-18)20-14-13-15(2)3/h5-12,15,20-21H,4,13-14H2,1-3H3
InChIKeyFKVMHYQVXXGGHQ-UHFFFAOYSA-N
MW346.50 g/mol
LogP4.51
Rot. Bonds8

About 4-ethyl-N-[4-(3-methylbutylamino)phenyl]benzenesulfonamide

4-ethyl-N-[4-(3-methylbutylamino)phenyl]benzenesulfonamide (PubChem CID 112985145) has the molecular formula C19H26N2O2S and a molecular weight of 346.50 g/mol. Its IUPAC name is 4-ethyl-N-[4-(3-methylbutylamino)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-ethyl-N-[4-(3-methylbutylamino)phenyl]benzenesulfonamide
PubChem CID112985145
Molecular FormulaC19H26N2O2S
Molecular Weight346.50 g/mol
Exact Mass346.17
IUPAC Name4-ethyl-N-[4-(3-methylbutylamino)phenyl]benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2ccc(NCCC(C)C)cc2)cc1
InChIInChI=1S/C19H26N2O2S/c1-4-16-5-11-19(12-6-16)24(22,23)21-18-9-7-17(8-10-18)20-14-13-15(2)3/h5-12,15,20-21H,4,13-14H2,1-3H3
InChIKeyFKVMHYQVXXGGHQ-UHFFFAOYSA-N
XLogP4.51
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[4-(3-methylbutylamino)phenyl]benzenesulfonamide
CID 112985139
N-[4-(3-methylbutylamino)phenyl]-4-propan-2-yloxybenzenesulfonamide
CID 112985174
4-ethyl-N-(4-iodophenyl)benzenesulfonamide
CID 1305687
3,4-dimethoxy-N-[4-(3-methylbutylamino)phenyl]benzenesulfonamide
CID 112985152
N-(4-ethylphenyl)-4-propylbenzenesulfonamide
CID 22773839
4-ethyl-N-[4-[4-[(4-ethylphenyl)sulfonylamino]phenoxy]phenyl]benzenesulfonamide
CID 25047818
4-(2-chloroethyl)-N-(4-ethylphenyl)benzenesulfonamide
CID 28719478
N-[4-[(4-ethylphenyl)sulfamoyl]phenyl]acetamide
CID 798958
N-(4-ethylphenyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 17154312
4-ethyl-N-(4-nitrophenyl)benzenesulfonamide
CID 22774107
N-(4-iodophenyl)-4-(propylamino)benzenesulfonamide
CID 62142672
methyl 4-[(4-ethylphenyl)sulfamoyl]benzoate
CID 26487109

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[4-(3-methylbutylamino)phenyl]benzenesulfonamide?
The IUPAC name of 4-ethyl-N-[4-(3-methylbutylamino)phenyl]benzenesulfonamide (CID 112985145) is 4-ethyl-N-[4-(3-methylbutylamino)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-ethyl-N-[4-(3-methylbutylamino)phenyl]benzenesulfonamide?
The canonical SMILES for 4-ethyl-N-[4-(3-methylbutylamino)phenyl]benzenesulfonamide is CCc1ccc(S(=O)(=O)Nc2ccc(NCCC(C)C)cc2)cc1.
What is the InChIKey of 4-ethyl-N-[4-(3-methylbutylamino)phenyl]benzenesulfonamide?
The InChIKey is FKVMHYQVXXGGHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2S/c1-4-16-5-11-19(12-6-16)24(22,23)21-18-9-7-17(8-10-18)20-14-13-15(2)3/h5-12,15,20-21H,4,13-14H2,1-3H3.
What are the key properties of 4-ethyl-N-[4-(3-methylbutylamino)phenyl]benzenesulfonamide?
4-ethyl-N-[4-(3-methylbutylamino)phenyl]benzenesulfonamide has a molecular weight of 346.50 g/mol, XLogP of 4.51, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[4-(3-methylbutylamino)phenyl]benzenesulfonamide is sourced from PubChem (CID 112985145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).