propane-2-sulfonamide;N-[3-[4-[(3S)-1-propan-2-ylpyrrolidin-3-yl]phenyl]phenyl]methanesulfonamide

C23H35N3O4S2 — CID 143179711

IUPACpropane-2-sulfonamide;N-[3-[4-[(3S)-1-propan-2-ylpyrrolidin-3-yl]phenyl]phenyl]methanesulfonamide
SMILESCC(C)N1CC[C@@H](c2ccc(-c3cccc(NS(C)(=O)=O)c3)cc2)C1.CC(C)S(N)(=O)=O
InChIInChI=1S/C20H26N2O2S.C3H9NO2S/c1-15(2)22-12-11-19(14-22)17-9-7-16(8-10-17)18-5-4-6-20(13-18)21-25(3,23)24;1-3(2)7(4,5)6/h4-10,13,15,19,21H,11-12,14H2,1-3H3;3H,1-2H3,(H2,4,5,6)/t19-;/m1./s1
InChIKeyBTFNOPBICUOLNG-FSRHSHDFSA-N
MW481.68 g/mol
LogP3.61
Rot. Bonds6

About propane-2-sulfonamide;N-[3-[4-[(3S)-1-propan-2-ylpyrrolidin-3-yl]phenyl]phenyl]methanesulfonamide

propane-2-sulfonamide;N-[3-[4-[(3S)-1-propan-2-ylpyrrolidin-3-yl]phenyl]phenyl]methanesulfonamide (PubChem CID 143179711) has the molecular formula C23H35N3O4S2 and a molecular weight of 481.68 g/mol. Its IUPAC name is propane-2-sulfonamide;N-[3-[4-[(3S)-1-propan-2-ylpyrrolidin-3-yl]phenyl]phenyl]methanesulfonamide.

Molecular Properties

Compound Namepropane-2-sulfonamide;N-[3-[4-[(3S)-1-propan-2-ylpyrrolidin-3-yl]phenyl]phenyl]methanesulfonamide
PubChem CID143179711
Molecular FormulaC23H35N3O4S2
Molecular Weight481.68 g/mol
Exact Mass481.21
IUPAC Namepropane-2-sulfonamide;N-[3-[4-[(3S)-1-propan-2-ylpyrrolidin-3-yl]phenyl]phenyl]methanesulfonamide
SMILESCC(C)N1CC[C@@H](c2ccc(-c3cccc(NS(C)(=O)=O)c3)cc2)C1.CC(C)S(N)(=O)=O
InChIInChI=1S/C20H26N2O2S.C3H9NO2S/c1-15(2)22-12-11-19(14-22)17-9-7-16(8-10-17)18-5-4-6-20(13-18)21-25(3,23)24;1-3(2)7(4,5)6/h4-10,13,15,19,21H,11-12,14H2,1-3H3;3H,1-2H3,(H2,4,5,6)/t19-;/m1./s1
InChIKeyBTFNOPBICUOLNG-FSRHSHDFSA-N
XLogP3.61
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.68
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of propane-2-sulfonamide;N-[3-[4-[(3S)-1-propan-2-ylpyrrolidin-3-yl]phenyl]phenyl]methanesulfonamide?
The IUPAC name of propane-2-sulfonamide;N-[3-[4-[(3S)-1-propan-2-ylpyrrolidin-3-yl]phenyl]phenyl]methanesulfonamide (CID 143179711) is propane-2-sulfonamide;N-[3-[4-[(3S)-1-propan-2-ylpyrrolidin-3-yl]phenyl]phenyl]methanesulfonamide.
What is the SMILES notation for propane-2-sulfonamide;N-[3-[4-[(3S)-1-propan-2-ylpyrrolidin-3-yl]phenyl]phenyl]methanesulfonamide?
The canonical SMILES for propane-2-sulfonamide;N-[3-[4-[(3S)-1-propan-2-ylpyrrolidin-3-yl]phenyl]phenyl]methanesulfonamide is CC(C)N1CC[C@@H](c2ccc(-c3cccc(NS(C)(=O)=O)c3)cc2)C1.CC(C)S(N)(=O)=O.
What is the InChIKey of propane-2-sulfonamide;N-[3-[4-[(3S)-1-propan-2-ylpyrrolidin-3-yl]phenyl]phenyl]methanesulfonamide?
The InChIKey is BTFNOPBICUOLNG-FSRHSHDFSA-N. The full InChI is InChI=1S/C20H26N2O2S.C3H9NO2S/c1-15(2)22-12-11-19(14-22)17-9-7-16(8-10-17)18-5-4-6-20(13-18)21-25(3,23)24;1-3(2)7(4,5)6/h4-10,13,15,19,21H,11-12,14H2,1-3H3;3H,1-2H3,(H2,4,5,6)/t19-;/m1./s1.
What are the key properties of propane-2-sulfonamide;N-[3-[4-[(3S)-1-propan-2-ylpyrrolidin-3-yl]phenyl]phenyl]methanesulfonamide?
propane-2-sulfonamide;N-[3-[4-[(3S)-1-propan-2-ylpyrrolidin-3-yl]phenyl]phenyl]methanesulfonamide has a molecular weight of 481.68 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propane-2-sulfonamide;N-[3-[4-[(3S)-1-propan-2-ylpyrrolidin-3-yl]phenyl]phenyl]methanesulfonamide is sourced from PubChem (CID 143179711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).