carbonic acid;5-(3,5-difluoro-2-pyridinyl)-N-[(1S,2R)-2-methyl-2-phenylcyclopropyl]thiophene-2-sulfonamide

C20H18F2N2O5S2 — CID 67525310

IUPACcarbonic acid;5-(3,5-difluoro-2-pyridinyl)-N-[(1S,2R)-2-methyl-2-phenylcyclopropyl]thiophene-2-sulfonamide
SMILESC[C@]1(c2ccccc2)C[C@@H]1NS(=O)(=O)c1ccc(-c2ncc(F)cc2F)s1.O=C(O)O
InChIInChI=1S/C19H16F2N2O2S2.CH2O3/c1-19(12-5-3-2-4-6-12)10-16(19)23-27(24,25)17-8-7-15(26-17)18-14(21)9-13(20)11-22-18;2-1(3)4/h2-9,11,16,23H,10H2,1H3;(H2,2,3,4)/t16-,19+;/m0./s1
InChIKeyZQYLPQPWCWEYRW-ZKKBRJJYSA-N
MW468.50 g/mol
LogP4.32
Rot. Bonds5

About carbonic acid;5-(3,5-difluoro-2-pyridinyl)-N-[(1S,2R)-2-methyl-2-phenylcyclopropyl]thiophene-2-sulfonamide

carbonic acid;5-(3,5-difluoro-2-pyridinyl)-N-[(1S,2R)-2-methyl-2-phenylcyclopropyl]thiophene-2-sulfonamide (PubChem CID 67525310) has the molecular formula C20H18F2N2O5S2 and a molecular weight of 468.50 g/mol. Its IUPAC name is carbonic acid;5-(3,5-difluoro-2-pyridinyl)-N-[(1S,2R)-2-methyl-2-phenylcyclopropyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Namecarbonic acid;5-(3,5-difluoro-2-pyridinyl)-N-[(1S,2R)-2-methyl-2-phenylcyclopropyl]thiophene-2-sulfonamide
PubChem CID67525310
Molecular FormulaC20H18F2N2O5S2
Molecular Weight468.50 g/mol
Exact Mass468.06
IUPAC Namecarbonic acid;5-(3,5-difluoro-2-pyridinyl)-N-[(1S,2R)-2-methyl-2-phenylcyclopropyl]thiophene-2-sulfonamide
SMILESC[C@]1(c2ccccc2)C[C@@H]1NS(=O)(=O)c1ccc(-c2ncc(F)cc2F)s1.O=C(O)O
InChIInChI=1S/C19H16F2N2O2S2.CH2O3/c1-19(12-5-3-2-4-6-12)10-16(19)23-27(24,25)17-8-7-15(26-17)18-14(21)9-13(20)11-22-18;2-1(3)4/h2-9,11,16,23H,10H2,1H3;(H2,2,3,4)/t16-,19+;/m0./s1
InChIKeyZQYLPQPWCWEYRW-ZKKBRJJYSA-N
XLogP4.32
TPSA116.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.50
LogP ≤ 54.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of carbonic acid;5-(3,5-difluoro-2-pyridinyl)-N-[(1S,2R)-2-methyl-2-phenylcyclopropyl]thiophene-2-sulfonamide?
The IUPAC name of carbonic acid;5-(3,5-difluoro-2-pyridinyl)-N-[(1S,2R)-2-methyl-2-phenylcyclopropyl]thiophene-2-sulfonamide (CID 67525310) is carbonic acid;5-(3,5-difluoro-2-pyridinyl)-N-[(1S,2R)-2-methyl-2-phenylcyclopropyl]thiophene-2-sulfonamide.
What is the SMILES notation for carbonic acid;5-(3,5-difluoro-2-pyridinyl)-N-[(1S,2R)-2-methyl-2-phenylcyclopropyl]thiophene-2-sulfonamide?
The canonical SMILES for carbonic acid;5-(3,5-difluoro-2-pyridinyl)-N-[(1S,2R)-2-methyl-2-phenylcyclopropyl]thiophene-2-sulfonamide is C[C@]1(c2ccccc2)C[C@@H]1NS(=O)(=O)c1ccc(-c2ncc(F)cc2F)s1.O=C(O)O.
What is the InChIKey of carbonic acid;5-(3,5-difluoro-2-pyridinyl)-N-[(1S,2R)-2-methyl-2-phenylcyclopropyl]thiophene-2-sulfonamide?
The InChIKey is ZQYLPQPWCWEYRW-ZKKBRJJYSA-N. The full InChI is InChI=1S/C19H16F2N2O2S2.CH2O3/c1-19(12-5-3-2-4-6-12)10-16(19)23-27(24,25)17-8-7-15(26-17)18-14(21)9-13(20)11-22-18;2-1(3)4/h2-9,11,16,23H,10H2,1H3;(H2,2,3,4)/t16-,19+;/m0./s1.
What are the key properties of carbonic acid;5-(3,5-difluoro-2-pyridinyl)-N-[(1S,2R)-2-methyl-2-phenylcyclopropyl]thiophene-2-sulfonamide?
carbonic acid;5-(3,5-difluoro-2-pyridinyl)-N-[(1S,2R)-2-methyl-2-phenylcyclopropyl]thiophene-2-sulfonamide has a molecular weight of 468.50 g/mol, XLogP of 4.32, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;5-(3,5-difluoro-2-pyridinyl)-N-[(1S,2R)-2-methyl-2-phenylcyclopropyl]thiophene-2-sulfonamide is sourced from PubChem (CID 67525310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).