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

C19H16ClN3O3S3 — CID 46388198

IUPAC6-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenyl]sulfanyl-N-prop-2-enylpyridine-3-carboxamide
SMILESC=CCNC(=O)c1ccc(Sc2ccc(NS(=O)(=O)c3ccc(Cl)s3)cc2)nc1
InChIInChI=1S/C19H16ClN3O3S3/c1-2-11-21-19(24)13-3-9-17(22-12-13)27-15-6-4-14(5-7-15)23-29(25,26)18-10-8-16(20)28-18/h2-10,12,23H,1,11H2,(H,21,24)
InChIKeyMLXNMBHKHIJKAU-UHFFFAOYSA-N
MW466.01 g/mol
LogP4.66
Rot. Bonds8

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

6-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenyl]sulfanyl-N-prop-2-enylpyridine-3-carboxamide (PubChem CID 46388198) 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-prop-2-enylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenyl]sulfanyl-N-prop-2-enylpyridine-3-carboxamide
PubChem CID46388198
Molecular FormulaC19H16ClN3O3S3
Molecular Weight466.01 g/mol
Exact Mass465.00
IUPAC Name6-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenyl]sulfanyl-N-prop-2-enylpyridine-3-carboxamide
SMILESC=CCNC(=O)c1ccc(Sc2ccc(NS(=O)(=O)c3ccc(Cl)s3)cc2)nc1
InChIInChI=1S/C19H16ClN3O3S3/c1-2-11-21-19(24)13-3-9-17(22-12-13)27-15-6-4-14(5-7-15)23-29(25,26)18-10-8-16(20)28-18/h2-10,12,23H,1,11H2,(H,21,24)
InChIKeyMLXNMBHKHIJKAU-UHFFFAOYSA-N
XLogP4.66
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.01
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

6-[4-(methanesulfonamido)phenyl]sulfanyl-N-prop-2-enylpyridine-3-carboxamide
CID 46388193
6-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenyl]sulfanyl-N-cyclopropylpyridine-3-carboxamide
CID 46388232
N-ethyl-6-[4-(ethylsulfonylamino)phenyl]sulfanylpyridine-3-carboxamide
CID 46388143
5-chloro-N-[6-(prop-2-enylamino)-3-pyridinyl]thiophene-2-sulfonamide
CID 113009417
6-[4-[(3,4-dimethylphenyl)sulfonylamino]phenyl]sulfanyl-N-ethylpyridine-3-carboxamide
CID 46388152
4-[(4-chlorophenyl)sulfonylamino]-N-prop-2-enylbenzamide
CID 94622380
4-[(5-chlorothiophen-2-yl)sulfonylamino]-N-[(2-methyltriazol-4-yl)methyl]benzamide
CID 154836612
6-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenoxy]-N-pentylpyridine-3-carboxamide
CID 53120059
4-[(5-chlorothiophen-2-yl)sulfonylamino]benzoate
CID 7040231
4-[(3,4-dichlorophenyl)sulfamoyl]-N-prop-2-enylbenzamide
CID 109058531
N-(3-methoxypropyl)-6-[4-[(2-methylphenyl)sulfonylamino]phenyl]sulfanylpyridine-3-carboxamide
CID 46388221
6-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 46388212

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenyl]sulfanyl-N-prop-2-enylpyridine-3-carboxamide?
The IUPAC name of 6-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenyl]sulfanyl-N-prop-2-enylpyridine-3-carboxamide (CID 46388198) is 6-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenyl]sulfanyl-N-prop-2-enylpyridine-3-carboxamide.
What is the SMILES notation for 6-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenyl]sulfanyl-N-prop-2-enylpyridine-3-carboxamide?
The canonical SMILES for 6-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenyl]sulfanyl-N-prop-2-enylpyridine-3-carboxamide is C=CCNC(=O)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-prop-2-enylpyridine-3-carboxamide?
The InChIKey is MLXNMBHKHIJKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O3S3/c1-2-11-21-19(24)13-3-9-17(22-12-13)27-15-6-4-14(5-7-15)23-29(25,26)18-10-8-16(20)28-18/h2-10,12,23H,1,11H2,(H,21,24).
What are the key properties of 6-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenyl]sulfanyl-N-prop-2-enylpyridine-3-carboxamide?
6-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenyl]sulfanyl-N-prop-2-enylpyridine-3-carboxamide has a molecular weight of 466.01 g/mol, XLogP of 4.66, 8 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-prop-2-enylpyridine-3-carboxamide is sourced from PubChem (CID 46388198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).