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

C18H19ClN4O2S2 — CID 67156708

IUPACN-(3-chlorophenyl)-4-(4-methylpiperazin-1-yl)thieno[3,2-c]pyridine-2-sulfonamide
SMILESCN1CCN(c2nccc3sc(S(=O)(=O)Nc4cccc(Cl)c4)cc23)CC1
InChIInChI=1S/C18H19ClN4O2S2/c1-22-7-9-23(10-8-22)18-15-12-17(26-16(15)5-6-20-18)27(24,25)21-14-4-2-3-13(19)11-14/h2-6,11-12,21H,7-10H2,1H3
InChIKeyGNCYXQOVPORZRW-UHFFFAOYSA-N
MW422.96 g/mol
LogP3.50
Rot. Bonds4

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

N-(3-chlorophenyl)-4-(4-methylpiperazin-1-yl)thieno[3,2-c]pyridine-2-sulfonamide (PubChem CID 67156708) has the molecular formula C18H19ClN4O2S2 and a molecular weight of 422.96 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-(4-methylpiperazin-1-yl)thieno[3,2-c]pyridine-2-sulfonamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4-(4-methylpiperazin-1-yl)thieno[3,2-c]pyridine-2-sulfonamide
PubChem CID67156708
Molecular FormulaC18H19ClN4O2S2
Molecular Weight422.96 g/mol
Exact Mass422.06
IUPAC NameN-(3-chlorophenyl)-4-(4-methylpiperazin-1-yl)thieno[3,2-c]pyridine-2-sulfonamide
SMILESCN1CCN(c2nccc3sc(S(=O)(=O)Nc4cccc(Cl)c4)cc23)CC1
InChIInChI=1S/C18H19ClN4O2S2/c1-22-7-9-23(10-8-22)18-15-12-17(26-16(15)5-6-20-18)27(24,25)21-14-4-2-3-13(19)11-14/h2-6,11-12,21H,7-10H2,1H3
InChIKeyGNCYXQOVPORZRW-UHFFFAOYSA-N
XLogP3.50
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.96
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2,3-difluorophenyl)methyl]-4-(4-methylpiperazin-1-yl)thieno[3,2-c]pyridine-2-sulfonamide
CID 10322696
4-piperazin-1-yl-N-[3-(trifluoromethyl)phenyl]thieno[3,2-c]pyridine-2-sulfonamide;hydrochloride
CID 67157565
4-(4-methylpiperazin-1-yl)-N-(1-naphthalen-1-ylethyl)thieno[3,2-c]pyridine-2-sulfonamide;hydrochloride
CID 67156592
4-piperazin-1-yl-N-(4-propan-2-ylphenyl)thieno[3,2-c]pyridine-2-sulfonamide
CID 10343881
4,5-dibromo-N-(3-chlorophenyl)thiophene-2-sulfonamide
CID 3830186
4-chloro-N-[3-fluoro-5-(trifluoromethyl)phenyl]thieno[3,2-c]pyridine-2-sulfonamide;N-(4-chlorophenyl)-4-piperazin-1-ylthieno[3,2-c]pyridine-2-sulfonamide;hydrochloride
CID 162123188
tert-butyl 4-[2-[(4-chloro-2,5-dimethoxyphenyl)sulfamoyl]thieno[3,2-c]pyridin-4-yl]piperazine-1-carboxylate
CID 67157136
4-chloro-N-(4-propan-2-ylphenyl)thieno[3,2-c]pyridine-2-sulfonamide
CID 87290241
N-(4-methylphenyl)-4-(4-methylpiperazin-1-yl)thieno[3,2-c]pyridine-3-sulfonamide;hydrochloride
CID 67156993
N-phenyl-7-piperazin-1-ylthieno[2,3-c]pyridine-2-sulfonamide
CID 67157197
5-chloro-3-methyl-N-[3-(4-methylpiperazin-1-yl)-4-phenylmethoxyphenyl]-1-benzothiophene-2-sulfonamide
CID 18180067
2-benzylsulfonyl-4-piperazin-1-ylthieno[3,2-c]pyridine
CID 10386823

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4-(4-methylpiperazin-1-yl)thieno[3,2-c]pyridine-2-sulfonamide?
The IUPAC name of N-(3-chlorophenyl)-4-(4-methylpiperazin-1-yl)thieno[3,2-c]pyridine-2-sulfonamide (CID 67156708) is N-(3-chlorophenyl)-4-(4-methylpiperazin-1-yl)thieno[3,2-c]pyridine-2-sulfonamide.
What is the SMILES notation for N-(3-chlorophenyl)-4-(4-methylpiperazin-1-yl)thieno[3,2-c]pyridine-2-sulfonamide?
The canonical SMILES for N-(3-chlorophenyl)-4-(4-methylpiperazin-1-yl)thieno[3,2-c]pyridine-2-sulfonamide is CN1CCN(c2nccc3sc(S(=O)(=O)Nc4cccc(Cl)c4)cc23)CC1.
What is the InChIKey of N-(3-chlorophenyl)-4-(4-methylpiperazin-1-yl)thieno[3,2-c]pyridine-2-sulfonamide?
The InChIKey is GNCYXQOVPORZRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O2S2/c1-22-7-9-23(10-8-22)18-15-12-17(26-16(15)5-6-20-18)27(24,25)21-14-4-2-3-13(19)11-14/h2-6,11-12,21H,7-10H2,1H3.
What are the key properties of N-(3-chlorophenyl)-4-(4-methylpiperazin-1-yl)thieno[3,2-c]pyridine-2-sulfonamide?
N-(3-chlorophenyl)-4-(4-methylpiperazin-1-yl)thieno[3,2-c]pyridine-2-sulfonamide has a molecular weight of 422.96 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-4-(4-methylpiperazin-1-yl)thieno[3,2-c]pyridine-2-sulfonamide is sourced from PubChem (CID 67156708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).