6-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenyl]sulfanyl-N-cyclopropylpyridine-3-carboxamide

C19H16ClN3O3S3 — CID 46388232

IUPAC6-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenyl]sulfanyl-N-cyclopropylpyridine-3-carboxamide
SMILESO=C(NC1CC1)c1ccc(Sc2ccc(NS(=O)(=O)c3ccc(Cl)s3)cc2)nc1
InChIInChI=1S/C19H16ClN3O3S3/c20-16-8-10-18(28-16)29(25,26)23-14-4-6-15(7-5-14)27-17-9-1-12(11-21-17)19(24)22-13-2-3-13/h1,4-11,13,23H,2-3H2,(H,22,24)
InChIKeyHWABAZSWRRYJGS-UHFFFAOYSA-N
MW466.01 g/mol
LogP4.64
Rot. Bonds7

About 6-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenyl]sulfanyl-N-cyclopropylpyridine-3-carboxamide

6-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenyl]sulfanyl-N-cyclopropylpyridine-3-carboxamide (PubChem CID 46388232) has the molecular formula C19H16ClN3O3S3 and a molecular weight of 466.01 g/mol. Its IUPAC name is 6-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenyl]sulfanyl-N-cyclopropylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenyl]sulfanyl-N-cyclopropylpyridine-3-carboxamide
PubChem CID46388232
Molecular FormulaC19H16ClN3O3S3
Molecular Weight466.01 g/mol
Exact Mass465.00
IUPAC Name6-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenyl]sulfanyl-N-cyclopropylpyridine-3-carboxamide
SMILESO=C(NC1CC1)c1ccc(Sc2ccc(NS(=O)(=O)c3ccc(Cl)s3)cc2)nc1
InChIInChI=1S/C19H16ClN3O3S3/c20-16-8-10-18(28-16)29(25,26)23-14-4-6-15(7-5-14)27-17-9-1-12(11-21-17)19(24)22-13-2-3-13/h1,4-11,13,23H,2-3H2,(H,22,24)
InChIKeyHWABAZSWRRYJGS-UHFFFAOYSA-N
XLogP4.64
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.01
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenyl]sulfanyl-N-prop-2-enylpyridine-3-carboxamide
CID 46388198
6-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenoxy]-N-cyclopropylpyridine-3-carboxamide
CID 53120065
4-[(5-chlorothiophen-2-yl)sulfonylamino]benzoate
CID 7040231
4-[(5-chlorothiophen-2-yl)sulfonylamino]-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzamide
CID 154837176
6-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenoxy]-N-pentylpyridine-3-carboxamide
CID 53120059
N-cyclohexyl-4-[(4-methylsulfanylphenyl)sulfonylamino]benzamide
CID 49189674
6-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 46388212
N-butan-2-yl-6-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylpyridine-3-carboxamide
CID 46388101
6-[4-(benzenesulfonamido)phenoxy]-N-cyclopropylpyridine-3-carboxamide
CID 53119974
4-[(5-chlorothiophen-2-yl)sulfonylamino]-N-[(2-methyltriazol-4-yl)methyl]benzamide
CID 154836612
N-[(2R)-butan-2-yl]-6-[4-(ethylsulfonylamino)phenyl]sulfanylpyridine-3-carboxamide
CID 92883059
N-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenyl]sulfonylbenzamide
CID 22772945

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenyl]sulfanyl-N-cyclopropylpyridine-3-carboxamide?
The IUPAC name of 6-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenyl]sulfanyl-N-cyclopropylpyridine-3-carboxamide (CID 46388232) is 6-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenyl]sulfanyl-N-cyclopropylpyridine-3-carboxamide.
What is the SMILES notation for 6-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenyl]sulfanyl-N-cyclopropylpyridine-3-carboxamide?
The canonical SMILES for 6-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenyl]sulfanyl-N-cyclopropylpyridine-3-carboxamide is O=C(NC1CC1)c1ccc(Sc2ccc(NS(=O)(=O)c3ccc(Cl)s3)cc2)nc1.
What is the InChIKey of 6-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenyl]sulfanyl-N-cyclopropylpyridine-3-carboxamide?
The InChIKey is HWABAZSWRRYJGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O3S3/c20-16-8-10-18(28-16)29(25,26)23-14-4-6-15(7-5-14)27-17-9-1-12(11-21-17)19(24)22-13-2-3-13/h1,4-11,13,23H,2-3H2,(H,22,24).
What are the key properties of 6-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenyl]sulfanyl-N-cyclopropylpyridine-3-carboxamide?
6-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenyl]sulfanyl-N-cyclopropylpyridine-3-carboxamide has a molecular weight of 466.01 g/mol, XLogP of 4.64, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenyl]sulfanyl-N-cyclopropylpyridine-3-carboxamide is sourced from PubChem (CID 46388232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).