N-[4-(N-ethyl-3-methylanilino)phenyl]butane-1-sulfonamide

C19H26N2O2S — CID 112990134

IUPACN-[4-(N-ethyl-3-methylanilino)phenyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1ccc(N(CC)c2cccc(C)c2)cc1
InChIInChI=1S/C19H26N2O2S/c1-4-6-14-24(22,23)20-17-10-12-18(13-11-17)21(5-2)19-9-7-8-16(3)15-19/h7-13,15,20H,4-6,14H2,1-3H3
InChIKeyAZWLWZZGOGBUTN-UHFFFAOYSA-N
MW346.50 g/mol
LogP4.69
Rot. Bonds8

About N-[4-(N-ethyl-3-methylanilino)phenyl]butane-1-sulfonamide

N-[4-(N-ethyl-3-methylanilino)phenyl]butane-1-sulfonamide (PubChem CID 112990134) has the molecular formula C19H26N2O2S and a molecular weight of 346.50 g/mol. Its IUPAC name is N-[4-(N-ethyl-3-methylanilino)phenyl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[4-(N-ethyl-3-methylanilino)phenyl]butane-1-sulfonamide
PubChem CID112990134
Molecular FormulaC19H26N2O2S
Molecular Weight346.50 g/mol
Exact Mass346.17
IUPAC NameN-[4-(N-ethyl-3-methylanilino)phenyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1ccc(N(CC)c2cccc(C)c2)cc1
InChIInChI=1S/C19H26N2O2S/c1-4-6-14-24(22,23)20-17-10-12-18(13-11-17)21(5-2)19-9-7-8-16(3)15-19/h7-13,15,20H,4-6,14H2,1-3H3
InChIKeyAZWLWZZGOGBUTN-UHFFFAOYSA-N
XLogP4.69
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(butylsulfonylamino)-N-ethyl-N-(3-methylphenyl)acetamide
CID 113002188
3-iodo-N-(3-methylphenyl)propane-1-sulfonamide
CID 146534327
4-chloro-N-(3-methylphenyl)butane-1-sulfonamide
CID 116815142
N-ethyl-N-[4-(ethylaminomethyl)phenyl]-3-methylaniline
CID 63550597
N-[4-(3-fluoroanilino)phenyl]butane-1-sulfonamide
CID 112988982
N-[4-(3-chloroanilino)phenyl]butane-1-sulfonamide
CID 112986998
4-(butylsulfonylamino)-N-(2,4,6-trimethylphenyl)benzenesulfonamide
CID 22202772
N-(3-aminophenyl)butane-1-sulfonamide
CID 16778445
N-[6-(N-ethyl-3-methylanilino)pyridazin-3-yl]ethanesulfonamide
CID 113051444
N-[3-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]butane-1-sulfonamide
CID 122284854
N-(3-hydroxy-4-methylphenyl)butane-1-sulfonamide
CID 64794580
N-(3-methylsulfonylphenyl)butane-1-sulfonamide
CID 110779460

Frequently Asked Questions

What is the IUPAC name of N-[4-(N-ethyl-3-methylanilino)phenyl]butane-1-sulfonamide?
The IUPAC name of N-[4-(N-ethyl-3-methylanilino)phenyl]butane-1-sulfonamide (CID 112990134) is N-[4-(N-ethyl-3-methylanilino)phenyl]butane-1-sulfonamide.
What is the SMILES notation for N-[4-(N-ethyl-3-methylanilino)phenyl]butane-1-sulfonamide?
The canonical SMILES for N-[4-(N-ethyl-3-methylanilino)phenyl]butane-1-sulfonamide is CCCCS(=O)(=O)Nc1ccc(N(CC)c2cccc(C)c2)cc1.
What is the InChIKey of N-[4-(N-ethyl-3-methylanilino)phenyl]butane-1-sulfonamide?
The InChIKey is AZWLWZZGOGBUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2S/c1-4-6-14-24(22,23)20-17-10-12-18(13-11-17)21(5-2)19-9-7-8-16(3)15-19/h7-13,15,20H,4-6,14H2,1-3H3.
What are the key properties of N-[4-(N-ethyl-3-methylanilino)phenyl]butane-1-sulfonamide?
N-[4-(N-ethyl-3-methylanilino)phenyl]butane-1-sulfonamide has a molecular weight of 346.50 g/mol, XLogP of 4.69, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(N-ethyl-3-methylanilino)phenyl]butane-1-sulfonamide is sourced from PubChem (CID 112990134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).