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

C19H16ClN3O4S2 — CID 53120065

IUPAC6-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenoxy]-N-cyclopropylpyridine-3-carboxamide
SMILESO=C(NC1CC1)c1ccc(Oc2ccc(NS(=O)(=O)c3ccc(Cl)s3)cc2)nc1
InChIInChI=1S/C19H16ClN3O4S2/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)
InChIKeyQHHBDNAKCAYWEF-UHFFFAOYSA-N
MW449.94 g/mol
LogP4.28
Rot. Bonds7

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

6-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenoxy]-N-cyclopropylpyridine-3-carboxamide (PubChem CID 53120065) has the molecular formula C19H16ClN3O4S2 and a molecular weight of 449.94 g/mol. Its IUPAC name is 6-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenoxy]-N-cyclopropylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenoxy]-N-cyclopropylpyridine-3-carboxamide
PubChem CID53120065
Molecular FormulaC19H16ClN3O4S2
Molecular Weight449.94 g/mol
Exact Mass449.03
IUPAC Name6-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenoxy]-N-cyclopropylpyridine-3-carboxamide
SMILESO=C(NC1CC1)c1ccc(Oc2ccc(NS(=O)(=O)c3ccc(Cl)s3)cc2)nc1
InChIInChI=1S/C19H16ClN3O4S2/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)
InChIKeyQHHBDNAKCAYWEF-UHFFFAOYSA-N
XLogP4.28
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.94
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenoxy]-N-pentylpyridine-3-carboxamide
CID 53120059
6-[4-(benzenesulfonamido)phenoxy]-N-cyclopropylpyridine-3-carboxamide
CID 53119974
6-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenyl]sulfanyl-N-cyclopropylpyridine-3-carboxamide
CID 46388232
4-[[5-[(5-chlorothiophen-2-yl)sulfonylamino]-2-pyridinyl]oxy]-N-ethylbenzamide
CID 46389231
N-(4-aminocyclohexyl)-6-(4-bromophenoxy)pyridine-3-carboxamide
CID 119474511
5-chloro-N-(4-cyclopentyloxyphenyl)thiophene-2-sulfonamide
CID 35548201
5-chloro-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]thiophene-2-sulfonamide
CID 122309092
2-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenoxy]-N-propylpyridine-3-carboxamide
CID 53120306
6-[4-[[4-(propanoylamino)phenyl]sulfonylamino]phenoxy]-N-propan-2-ylpyridine-3-carboxamide
CID 53120121
N-propan-2-yl-6-[4-[(2,4,5-trimethylphenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide
CID 53120158
6-[4-[(2,5-dimethylphenyl)sulfonylamino]phenoxy]-N-ethylpyridine-3-carboxamide
CID 53120026
2-[4-[(5-chloro-2-pyridinyl)oxy]anilino]-N-cyclopropylpropanamide
CID 71925015

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenoxy]-N-cyclopropylpyridine-3-carboxamide?
The IUPAC name of 6-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenoxy]-N-cyclopropylpyridine-3-carboxamide (CID 53120065) is 6-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenoxy]-N-cyclopropylpyridine-3-carboxamide.
What is the SMILES notation for 6-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenoxy]-N-cyclopropylpyridine-3-carboxamide?
The canonical SMILES for 6-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenoxy]-N-cyclopropylpyridine-3-carboxamide is O=C(NC1CC1)c1ccc(Oc2ccc(NS(=O)(=O)c3ccc(Cl)s3)cc2)nc1.
What is the InChIKey of 6-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenoxy]-N-cyclopropylpyridine-3-carboxamide?
The InChIKey is QHHBDNAKCAYWEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O4S2/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]phenoxy]-N-cyclopropylpyridine-3-carboxamide?
6-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenoxy]-N-cyclopropylpyridine-3-carboxamide has a molecular weight of 449.94 g/mol, XLogP of 4.28, 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]phenoxy]-N-cyclopropylpyridine-3-carboxamide is sourced from PubChem (CID 53120065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).