5-chloro-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)thiophene-2-sulfonamide

C16H19ClN2O5S3 — CID 5217515

IUPAC5-chloro-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)thiophene-2-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C16H19ClN2O5S3/c1-24-13-6-5-12(18-26(20,21)16-8-7-15(17)25-16)11-14(13)27(22,23)19-9-3-2-4-10-19/h5-8,11,18H,2-4,9-10H2,1H3
InChIKeyKDLXNAFJAYVJLS-UHFFFAOYSA-N
MW450.99 g/mol
LogP3.39
Rot. Bonds6

About 5-chloro-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)thiophene-2-sulfonamide

5-chloro-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)thiophene-2-sulfonamide (PubChem CID 5217515) has the molecular formula C16H19ClN2O5S3 and a molecular weight of 450.99 g/mol. Its IUPAC name is 5-chloro-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)thiophene-2-sulfonamide
PubChem CID5217515
Molecular FormulaC16H19ClN2O5S3
Molecular Weight450.99 g/mol
Exact Mass450.01
IUPAC Name5-chloro-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)thiophene-2-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C16H19ClN2O5S3/c1-24-13-6-5-12(18-26(20,21)16-8-7-15(17)25-16)11-14(13)27(22,23)19-9-3-2-4-10-19/h5-8,11,18H,2-4,9-10H2,1H3
InChIKeyKDLXNAFJAYVJLS-UHFFFAOYSA-N
XLogP3.39
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.99
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(5-chlorothiophen-2-yl)sulfonyl-4-(2,5-dimethoxyphenyl)sulfonylpiperazine
CID 19684867
4-(2,5-dioxopyrrolidin-1-yl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)benzenesulfonamide
CID 100539406
1-(5-chloro-2-methoxyphenyl)sulfonylpiperidine
CID 757936
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 26982777
3-ethyl-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-oxo-1,3-benzothiazole-6-sulfonamide
CID 100725688
2-chloro-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-5-[(4-methylphenyl)sulfonylamino]benzamide
CID 99939796
2-chloro-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 46763944
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)propanamide
CID 26851836
4-hydroxy-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-3-nitrobenzenesulfonamide
CID 4831846
5-chloro-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]thiophene-2-sulfonamide
CID 8519502
1-(5-chlorothiophen-2-yl)sulfonylazepane
CID 775842
3-chloro-4-fluoro-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzenesulfonamide
CID 42992279

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)thiophene-2-sulfonamide (CID 5217515) is 5-chloro-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)thiophene-2-sulfonamide is COc1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of 5-chloro-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)thiophene-2-sulfonamide?
The InChIKey is KDLXNAFJAYVJLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O5S3/c1-24-13-6-5-12(18-26(20,21)16-8-7-15(17)25-16)11-14(13)27(22,23)19-9-3-2-4-10-19/h5-8,11,18H,2-4,9-10H2,1H3.
What are the key properties of 5-chloro-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)thiophene-2-sulfonamide?
5-chloro-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)thiophene-2-sulfonamide has a molecular weight of 450.99 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)thiophene-2-sulfonamide is sourced from PubChem (CID 5217515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).