N-[(1S)-1-(4-propylphenyl)ethyl]butane-1-sulfonamide

C15H25NO2S — CID 26001989

IUPACN-[(1S)-1-(4-propylphenyl)ethyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)N[C@@H](C)c1ccc(CCC)cc1
InChIInChI=1S/C15H25NO2S/c1-4-6-12-19(17,18)16-13(3)15-10-8-14(7-5-2)9-11-15/h8-11,13,16H,4-7,12H2,1-3H3/t13-/m0/s1
InChIKeyAOJWRVXVGMYJBK-ZDUSSCGKSA-N
MW283.44 g/mol
LogP3.42
Rot. Bonds8

About N-[(1S)-1-(4-propylphenyl)ethyl]butane-1-sulfonamide

N-[(1S)-1-(4-propylphenyl)ethyl]butane-1-sulfonamide (PubChem CID 26001989) has the molecular formula C15H25NO2S and a molecular weight of 283.44 g/mol. Its IUPAC name is N-[(1S)-1-(4-propylphenyl)ethyl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-propylphenyl)ethyl]butane-1-sulfonamide
PubChem CID26001989
Molecular FormulaC15H25NO2S
Molecular Weight283.44 g/mol
Exact Mass283.16
IUPAC NameN-[(1S)-1-(4-propylphenyl)ethyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)N[C@@H](C)c1ccc(CCC)cc1
InChIInChI=1S/C15H25NO2S/c1-4-6-12-19(17,18)16-13(3)15-10-8-14(7-5-2)9-11-15/h8-11,13,16H,4-7,12H2,1-3H3/t13-/m0/s1
InChIKeyAOJWRVXVGMYJBK-ZDUSSCGKSA-N
XLogP3.42
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-phenyl-N-(1-phenylethyl)propane-1-sulfonamide
CID 110755445
3-cyano-N-[1-(4-ethylphenyl)ethyl]propane-1-sulfonamide
CID 56787518
N-[(1S)-1-(4-fluorophenyl)ethyl]propane-1-sulfonamide
CID 81349430
N-[(1S)-1-(4-ethylphenyl)ethyl]-2-methoxyethanesulfonamide
CID 95733792
3-methylsulfonyl-N-[1-(4-propylphenyl)ethyl]propan-1-amine
CID 54905763
4-(ethylamino)-N-[1-(4-methylphenyl)ethyl]butane-1-sulfonamide
CID 106011733
4-(2-methylpropyl)-N-[1-(4-propylphenyl)ethyl]benzenesulfonamide
CID 22204673
4-fluoro-N-[1-(4-propylphenyl)ethyl]benzenesulfonamide
CID 22204665
N-[1-(3-methoxyphenyl)ethyl]butane-1-sulfonamide
CID 22201304
N-[1-(1,3-benzodioxol-5-yl)ethyl]butane-1-sulfonamide
CID 22773283
N-[(1S)-1-phenylethyl]-4-propylbenzenesulfonamide
CID 2559624
N-[1-[4-(trifluoromethyl)phenyl]ethyl]propane-1-sulfonamide
CID 61383811

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-propylphenyl)ethyl]butane-1-sulfonamide?
The IUPAC name of N-[(1S)-1-(4-propylphenyl)ethyl]butane-1-sulfonamide (CID 26001989) is N-[(1S)-1-(4-propylphenyl)ethyl]butane-1-sulfonamide.
What is the SMILES notation for N-[(1S)-1-(4-propylphenyl)ethyl]butane-1-sulfonamide?
The canonical SMILES for N-[(1S)-1-(4-propylphenyl)ethyl]butane-1-sulfonamide is CCCCS(=O)(=O)N[C@@H](C)c1ccc(CCC)cc1.
What is the InChIKey of N-[(1S)-1-(4-propylphenyl)ethyl]butane-1-sulfonamide?
The InChIKey is AOJWRVXVGMYJBK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H25NO2S/c1-4-6-12-19(17,18)16-13(3)15-10-8-14(7-5-2)9-11-15/h8-11,13,16H,4-7,12H2,1-3H3/t13-/m0/s1.
What are the key properties of N-[(1S)-1-(4-propylphenyl)ethyl]butane-1-sulfonamide?
N-[(1S)-1-(4-propylphenyl)ethyl]butane-1-sulfonamide has a molecular weight of 283.44 g/mol, XLogP of 3.42, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-propylphenyl)ethyl]butane-1-sulfonamide is sourced from PubChem (CID 26001989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).