4-butyl-N-(3-ethylphenyl)benzenesulfonamide

C18H23NO2S — CID 22773820

IUPAC4-butyl-N-(3-ethylphenyl)benzenesulfonamide
SMILESCCCCc1ccc(S(=O)(=O)Nc2cccc(CC)c2)cc1
InChIInChI=1S/C18H23NO2S/c1-3-5-7-16-10-12-18(13-11-16)22(20,21)19-17-9-6-8-15(4-2)14-17/h6,8-14,19H,3-5,7H2,1-2H3
InChIKeyAMPSBUDLTNVBIL-UHFFFAOYSA-N
MW317.45 g/mol
LogP4.39
Rot. Bonds7

About 4-butyl-N-(3-ethylphenyl)benzenesulfonamide

4-butyl-N-(3-ethylphenyl)benzenesulfonamide (PubChem CID 22773820) has the molecular formula C18H23NO2S and a molecular weight of 317.45 g/mol. Its IUPAC name is 4-butyl-N-(3-ethylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-butyl-N-(3-ethylphenyl)benzenesulfonamide
PubChem CID22773820
Molecular FormulaC18H23NO2S
Molecular Weight317.45 g/mol
Exact Mass317.14
IUPAC Name4-butyl-N-(3-ethylphenyl)benzenesulfonamide
SMILESCCCCc1ccc(S(=O)(=O)Nc2cccc(CC)c2)cc1
InChIInChI=1S/C18H23NO2S/c1-3-5-7-16-10-12-18(13-11-16)22(20,21)19-17-9-6-8-15(4-2)14-17/h6,8-14,19H,3-5,7H2,1-2H3
InChIKeyAMPSBUDLTNVBIL-UHFFFAOYSA-N
XLogP4.39
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.45
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-[(4-butylphenyl)sulfonylamino]phenyl]acetamide
CID 17388137
N-(3-chlorophenyl)-4-pentylbenzenesulfonamide
CID 3741817
N-(3-ethylphenyl)-4-(trifluoromethyl)benzenesulfonamide
CID 118346578
N-(3-propylphenyl)benzenesulfonamide
CID 71064838
3-[2-[4-[(4-butylphenyl)sulfonylamino]phenyl]ethyl]benzoic acid
CID 68688780
N-anthracen-2-yl-4-pentylbenzenesulfonamide
CID 3844846
N-(4-bromo-3-fluorophenyl)-4-butylbenzenesulfonamide
CID 3568453
N-(4-ethylphenyl)-4-propylbenzenesulfonamide
CID 22773839
4-bromo-N-(3-ethylphenyl)-3-methylbenzenesulfonamide
CID 60641368
N-(4-anilinophenyl)-4-hexylbenzenesulfonamide
CID 84552335
4-(3-hydroxypropyl)-N-(3-methylphenyl)benzenesulfonamide
CID 39436095
N-[3,5-bis(trifluoromethyl)phenyl]-4-butylbenzenesulfonamide
CID 22775272

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-(3-ethylphenyl)benzenesulfonamide?
The IUPAC name of 4-butyl-N-(3-ethylphenyl)benzenesulfonamide (CID 22773820) is 4-butyl-N-(3-ethylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-butyl-N-(3-ethylphenyl)benzenesulfonamide?
The canonical SMILES for 4-butyl-N-(3-ethylphenyl)benzenesulfonamide is CCCCc1ccc(S(=O)(=O)Nc2cccc(CC)c2)cc1.
What is the InChIKey of 4-butyl-N-(3-ethylphenyl)benzenesulfonamide?
The InChIKey is AMPSBUDLTNVBIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2S/c1-3-5-7-16-10-12-18(13-11-16)22(20,21)19-17-9-6-8-15(4-2)14-17/h6,8-14,19H,3-5,7H2,1-2H3.
What are the key properties of 4-butyl-N-(3-ethylphenyl)benzenesulfonamide?
4-butyl-N-(3-ethylphenyl)benzenesulfonamide has a molecular weight of 317.45 g/mol, XLogP of 4.39, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-(3-ethylphenyl)benzenesulfonamide is sourced from PubChem (CID 22773820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).