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

C19H21ClN4O2S2 — CID 10050524

IUPACN-[(3-chlorophenyl)methyl]-4-(4-methylpiperazin-1-yl)thieno[3,2-c]pyridine-2-sulfonamide
SMILESCN1CCN(c2nccc3sc(S(=O)(=O)NCc4cccc(Cl)c4)cc23)CC1
InChIInChI=1S/C19H21ClN4O2S2/c1-23-7-9-24(10-8-23)19-16-12-18(27-17(16)5-6-21-19)28(25,26)22-13-14-3-2-4-15(20)11-14/h2-6,11-12,22H,7-10,13H2,1H3
InChIKeyBPXCEJUCCOPJEI-UHFFFAOYSA-N
MW436.99 g/mol
LogP3.18
Rot. Bonds5

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

N-[(3-chlorophenyl)methyl]-4-(4-methylpiperazin-1-yl)thieno[3,2-c]pyridine-2-sulfonamide (PubChem CID 10050524) has the molecular formula C19H21ClN4O2S2 and a molecular weight of 436.99 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-4-(4-methylpiperazin-1-yl)thieno[3,2-c]pyridine-2-sulfonamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-4-(4-methylpiperazin-1-yl)thieno[3,2-c]pyridine-2-sulfonamide
PubChem CID10050524
Molecular FormulaC19H21ClN4O2S2
Molecular Weight436.99 g/mol
Exact Mass436.08
IUPAC NameN-[(3-chlorophenyl)methyl]-4-(4-methylpiperazin-1-yl)thieno[3,2-c]pyridine-2-sulfonamide
SMILESCN1CCN(c2nccc3sc(S(=O)(=O)NCc4cccc(Cl)c4)cc23)CC1
InChIInChI=1S/C19H21ClN4O2S2/c1-23-7-9-24(10-8-23)19-16-12-18(27-17(16)5-6-21-19)28(25,26)22-13-14-3-2-4-15(20)11-14/h2-6,11-12,22H,7-10,13H2,1H3
InChIKeyBPXCEJUCCOPJEI-UHFFFAOYSA-N
XLogP3.18
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.99
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-4-(4-methylpiperazin-1-yl)thieno[3,2-c]pyridine-2-sulfonamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-4-(4-methylpiperazin-1-yl)thieno[3,2-c]pyridine-2-sulfonamide (CID 10050524) is N-[(3-chlorophenyl)methyl]-4-(4-methylpiperazin-1-yl)thieno[3,2-c]pyridine-2-sulfonamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-4-(4-methylpiperazin-1-yl)thieno[3,2-c]pyridine-2-sulfonamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-4-(4-methylpiperazin-1-yl)thieno[3,2-c]pyridine-2-sulfonamide is CN1CCN(c2nccc3sc(S(=O)(=O)NCc4cccc(Cl)c4)cc23)CC1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-4-(4-methylpiperazin-1-yl)thieno[3,2-c]pyridine-2-sulfonamide?
The InChIKey is BPXCEJUCCOPJEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O2S2/c1-23-7-9-24(10-8-23)19-16-12-18(27-17(16)5-6-21-19)28(25,26)22-13-14-3-2-4-15(20)11-14/h2-6,11-12,22H,7-10,13H2,1H3.
What are the key properties of N-[(3-chlorophenyl)methyl]-4-(4-methylpiperazin-1-yl)thieno[3,2-c]pyridine-2-sulfonamide?
N-[(3-chlorophenyl)methyl]-4-(4-methylpiperazin-1-yl)thieno[3,2-c]pyridine-2-sulfonamide has a molecular weight of 436.99 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-4-(4-methylpiperazin-1-yl)thieno[3,2-c]pyridine-2-sulfonamide is sourced from PubChem (CID 10050524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).