1-phenyl-N-(1-phenylpropylsulfonyl)propane-1-sulfonamide

C18H23NO4S2 — CID 173213737

IUPAC1-phenyl-N-(1-phenylpropylsulfonyl)propane-1-sulfonamide
SMILESCCC(c1ccccc1)S(=O)(=O)NS(=O)(=O)C(CC)c1ccccc1
InChIInChI=1S/C18H23NO4S2/c1-3-17(15-11-7-5-8-12-15)24(20,21)19-25(22,23)18(4-2)16-13-9-6-10-14-16/h5-14,17-19H,3-4H2,1-2H3
InChIKeyLFXLJOIBZIDTDR-UHFFFAOYSA-N
MW381.52 g/mol
LogP3.54
Rot. Bonds8

About 1-phenyl-N-(1-phenylpropylsulfonyl)propane-1-sulfonamide

1-phenyl-N-(1-phenylpropylsulfonyl)propane-1-sulfonamide (PubChem CID 173213737) has the molecular formula C18H23NO4S2 and a molecular weight of 381.52 g/mol. Its IUPAC name is 1-phenyl-N-(1-phenylpropylsulfonyl)propane-1-sulfonamide.

Molecular Properties

Compound Name1-phenyl-N-(1-phenylpropylsulfonyl)propane-1-sulfonamide
PubChem CID173213737
Molecular FormulaC18H23NO4S2
Molecular Weight381.52 g/mol
Exact Mass381.11
IUPAC Name1-phenyl-N-(1-phenylpropylsulfonyl)propane-1-sulfonamide
SMILESCCC(c1ccccc1)S(=O)(=O)NS(=O)(=O)C(CC)c1ccccc1
InChIInChI=1S/C18H23NO4S2/c1-3-17(15-11-7-5-8-12-15)24(20,21)19-25(22,23)18(4-2)16-13-9-6-10-14-16/h5-14,17-19H,3-4H2,1-2H3
InChIKeyLFXLJOIBZIDTDR-UHFFFAOYSA-N
XLogP3.54
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-phenylpropyl]methanesulfonamide
CID 11321835
4-[[(1S)-1-phenylpropyl]sulfonylmethyl]pyridine
CID 99794986
trans-(1S,2S)-N-(1-phenylpropylsulfonyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 164640795
3-amino-1-phenylpentane-1-sulfonic acid
CID 58052680
(1S)-1-phenyl-N-propan-2-ylpropan-1-amine
CID 14387504
(1S)-N-iodo-1-phenylpropan-1-amine
CID 87207146
N-[(2S)-2-(benzenesulfonyl)-2-phenylethyl]-N'-[(2S)-butan-2-yl]oxamide
CID 9185186
N-[(1S)-2-methyl-1-phenylpropyl]ethanesulfonamide
CID 94197100
1-phenyl-N-[(1S)-1-phenylethyl]propan-1-amine
CID 78956018
2-chloro-N-(1-phenylpropyl)pyridine-3-sulfonamide
CID 62304203
[(1S)-1-tert-butylsulfonylpentyl]benzene
CID 91798440
(2R)-N-methylsulfonyl-2-phenylbutanamide
CID 94188019

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-(1-phenylpropylsulfonyl)propane-1-sulfonamide?
The IUPAC name of 1-phenyl-N-(1-phenylpropylsulfonyl)propane-1-sulfonamide (CID 173213737) is 1-phenyl-N-(1-phenylpropylsulfonyl)propane-1-sulfonamide.
What is the SMILES notation for 1-phenyl-N-(1-phenylpropylsulfonyl)propane-1-sulfonamide?
The canonical SMILES for 1-phenyl-N-(1-phenylpropylsulfonyl)propane-1-sulfonamide is CCC(c1ccccc1)S(=O)(=O)NS(=O)(=O)C(CC)c1ccccc1.
What is the InChIKey of 1-phenyl-N-(1-phenylpropylsulfonyl)propane-1-sulfonamide?
The InChIKey is LFXLJOIBZIDTDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO4S2/c1-3-17(15-11-7-5-8-12-15)24(20,21)19-25(22,23)18(4-2)16-13-9-6-10-14-16/h5-14,17-19H,3-4H2,1-2H3.
What are the key properties of 1-phenyl-N-(1-phenylpropylsulfonyl)propane-1-sulfonamide?
1-phenyl-N-(1-phenylpropylsulfonyl)propane-1-sulfonamide has a molecular weight of 381.52 g/mol, XLogP of 3.54, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-(1-phenylpropylsulfonyl)propane-1-sulfonamide is sourced from PubChem (CID 173213737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).