N-[(2,3-difluorophenyl)methyl]-4-(4-methylpiperazin-1-yl)thieno[3,2-c]pyridine-2-sulfonamide

C19H20F2N4O2S2 — CID 10322696

IUPACN-[(2,3-difluorophenyl)methyl]-4-(4-methylpiperazin-1-yl)thieno[3,2-c]pyridine-2-sulfonamide
SMILESCN1CCN(c2nccc3sc(S(=O)(=O)NCc4cccc(F)c4F)cc23)CC1
InChIInChI=1S/C19H20F2N4O2S2/c1-24-7-9-25(10-8-24)19-14-11-17(28-16(14)5-6-22-19)29(26,27)23-12-13-3-2-4-15(20)18(13)21/h2-6,11,23H,7-10,12H2,1H3
InChIKeyVDNOJRFTEFDUDN-UHFFFAOYSA-N
MW438.53 g/mol
LogP2.80
Rot. Bonds5

About N-[(2,3-difluorophenyl)methyl]-4-(4-methylpiperazin-1-yl)thieno[3,2-c]pyridine-2-sulfonamide

N-[(2,3-difluorophenyl)methyl]-4-(4-methylpiperazin-1-yl)thieno[3,2-c]pyridine-2-sulfonamide (PubChem CID 10322696) has the molecular formula C19H20F2N4O2S2 and a molecular weight of 438.53 g/mol. Its IUPAC name is N-[(2,3-difluorophenyl)methyl]-4-(4-methylpiperazin-1-yl)thieno[3,2-c]pyridine-2-sulfonamide.

Molecular Properties

Compound NameN-[(2,3-difluorophenyl)methyl]-4-(4-methylpiperazin-1-yl)thieno[3,2-c]pyridine-2-sulfonamide
PubChem CID10322696
Molecular FormulaC19H20F2N4O2S2
Molecular Weight438.53 g/mol
Exact Mass438.10
IUPAC NameN-[(2,3-difluorophenyl)methyl]-4-(4-methylpiperazin-1-yl)thieno[3,2-c]pyridine-2-sulfonamide
SMILESCN1CCN(c2nccc3sc(S(=O)(=O)NCc4cccc(F)c4F)cc23)CC1
InChIInChI=1S/C19H20F2N4O2S2/c1-24-7-9-25(10-8-24)19-14-11-17(28-16(14)5-6-22-19)29(26,27)23-12-13-3-2-4-15(20)18(13)21/h2-6,11,23H,7-10,12H2,1H3
InChIKeyVDNOJRFTEFDUDN-UHFFFAOYSA-N
XLogP2.80
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2,3-difluorophenyl)methyl]-4-(4-methylpiperazin-1-yl)thieno[3,2-c]pyridine-2-sulfonamide?
The IUPAC name of N-[(2,3-difluorophenyl)methyl]-4-(4-methylpiperazin-1-yl)thieno[3,2-c]pyridine-2-sulfonamide (CID 10322696) is N-[(2,3-difluorophenyl)methyl]-4-(4-methylpiperazin-1-yl)thieno[3,2-c]pyridine-2-sulfonamide.
What is the SMILES notation for N-[(2,3-difluorophenyl)methyl]-4-(4-methylpiperazin-1-yl)thieno[3,2-c]pyridine-2-sulfonamide?
The canonical SMILES for N-[(2,3-difluorophenyl)methyl]-4-(4-methylpiperazin-1-yl)thieno[3,2-c]pyridine-2-sulfonamide is CN1CCN(c2nccc3sc(S(=O)(=O)NCc4cccc(F)c4F)cc23)CC1.
What is the InChIKey of N-[(2,3-difluorophenyl)methyl]-4-(4-methylpiperazin-1-yl)thieno[3,2-c]pyridine-2-sulfonamide?
The InChIKey is VDNOJRFTEFDUDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N4O2S2/c1-24-7-9-25(10-8-24)19-14-11-17(28-16(14)5-6-22-19)29(26,27)23-12-13-3-2-4-15(20)18(13)21/h2-6,11,23H,7-10,12H2,1H3.
What are the key properties of N-[(2,3-difluorophenyl)methyl]-4-(4-methylpiperazin-1-yl)thieno[3,2-c]pyridine-2-sulfonamide?
N-[(2,3-difluorophenyl)methyl]-4-(4-methylpiperazin-1-yl)thieno[3,2-c]pyridine-2-sulfonamide has a molecular weight of 438.53 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-difluorophenyl)methyl]-4-(4-methylpiperazin-1-yl)thieno[3,2-c]pyridine-2-sulfonamide is sourced from PubChem (CID 10322696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).