4,5-dichloro-N-[(3S,4S)-4-methoxy-1-methylpyrrolidin-3-yl]thiophene-2-sulfonamide

C10H14Cl2N2O3S2 — CID 122557495

IUPAC4,5-dichloro-N-[(3S,4S)-4-methoxy-1-methylpyrrolidin-3-yl]thiophene-2-sulfonamide
SMILESCO[C@H]1CN(C)C[C@@H]1NS(=O)(=O)c1cc(Cl)c(Cl)s1
InChIInChI=1S/C10H14Cl2N2O3S2/c1-14-4-7(8(5-14)17-2)13-19(15,16)9-3-6(11)10(12)18-9/h3,7-8,13H,4-5H2,1-2H3/t7-,8-/m0/s1
InChIKeyYQFNVULYDNXIME-YUMQZZPRSA-N
MW345.27 g/mol
LogP1.66
Rot. Bonds4

About 4,5-dichloro-N-[(3S,4S)-4-methoxy-1-methylpyrrolidin-3-yl]thiophene-2-sulfonamide

4,5-dichloro-N-[(3S,4S)-4-methoxy-1-methylpyrrolidin-3-yl]thiophene-2-sulfonamide (PubChem CID 122557495) has the molecular formula C10H14Cl2N2O3S2 and a molecular weight of 345.27 g/mol. Its IUPAC name is 4,5-dichloro-N-[(3S,4S)-4-methoxy-1-methylpyrrolidin-3-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name4,5-dichloro-N-[(3S,4S)-4-methoxy-1-methylpyrrolidin-3-yl]thiophene-2-sulfonamide
PubChem CID122557495
Molecular FormulaC10H14Cl2N2O3S2
Molecular Weight345.27 g/mol
Exact Mass343.98
IUPAC Name4,5-dichloro-N-[(3S,4S)-4-methoxy-1-methylpyrrolidin-3-yl]thiophene-2-sulfonamide
SMILESCO[C@H]1CN(C)C[C@@H]1NS(=O)(=O)c1cc(Cl)c(Cl)s1
InChIInChI=1S/C10H14Cl2N2O3S2/c1-14-4-7(8(5-14)17-2)13-19(15,16)9-3-6(11)10(12)18-9/h3,7-8,13H,4-5H2,1-2H3/t7-,8-/m0/s1
InChIKeyYQFNVULYDNXIME-YUMQZZPRSA-N
XLogP1.66
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.27
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-N-[(3S,4S)-4-methoxy-1-methylpyrrolidin-3-yl]thiophene-2-sulfonamide?
The IUPAC name of 4,5-dichloro-N-[(3S,4S)-4-methoxy-1-methylpyrrolidin-3-yl]thiophene-2-sulfonamide (CID 122557495) is 4,5-dichloro-N-[(3S,4S)-4-methoxy-1-methylpyrrolidin-3-yl]thiophene-2-sulfonamide.
What is the SMILES notation for 4,5-dichloro-N-[(3S,4S)-4-methoxy-1-methylpyrrolidin-3-yl]thiophene-2-sulfonamide?
The canonical SMILES for 4,5-dichloro-N-[(3S,4S)-4-methoxy-1-methylpyrrolidin-3-yl]thiophene-2-sulfonamide is CO[C@H]1CN(C)C[C@@H]1NS(=O)(=O)c1cc(Cl)c(Cl)s1.
What is the InChIKey of 4,5-dichloro-N-[(3S,4S)-4-methoxy-1-methylpyrrolidin-3-yl]thiophene-2-sulfonamide?
The InChIKey is YQFNVULYDNXIME-YUMQZZPRSA-N. The full InChI is InChI=1S/C10H14Cl2N2O3S2/c1-14-4-7(8(5-14)17-2)13-19(15,16)9-3-6(11)10(12)18-9/h3,7-8,13H,4-5H2,1-2H3/t7-,8-/m0/s1.
What are the key properties of 4,5-dichloro-N-[(3S,4S)-4-methoxy-1-methylpyrrolidin-3-yl]thiophene-2-sulfonamide?
4,5-dichloro-N-[(3S,4S)-4-methoxy-1-methylpyrrolidin-3-yl]thiophene-2-sulfonamide has a molecular weight of 345.27 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-N-[(3S,4S)-4-methoxy-1-methylpyrrolidin-3-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 122557495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).