4-[4-chloro-2-(1-methylpyrazol-3-yl)phenoxy]-3-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide

C19H14ClFN4O3S2 — CID 71716800

IUPAC4-[4-chloro-2-(1-methylpyrazol-3-yl)phenoxy]-3-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESCn1ccc(-c2cc(Cl)ccc2Oc2ccc(S(=O)(=O)Nc3nccs3)cc2F)n1
InChIInChI=1S/C19H14ClFN4O3S2/c1-25-8-6-16(23-25)14-10-12(20)2-4-17(14)28-18-5-3-13(11-15(18)21)30(26,27)24-19-22-7-9-29-19/h2-11H,1H3,(H,22,24)
InChIKeyIPWFCFCPNVLJBX-UHFFFAOYSA-N
MW464.93 g/mol
LogP4.93
Rot. Bonds6

About 4-[4-chloro-2-(1-methylpyrazol-3-yl)phenoxy]-3-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide

4-[4-chloro-2-(1-methylpyrazol-3-yl)phenoxy]-3-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 71716800) has the molecular formula C19H14ClFN4O3S2 and a molecular weight of 464.93 g/mol. Its IUPAC name is 4-[4-chloro-2-(1-methylpyrazol-3-yl)phenoxy]-3-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-[4-chloro-2-(1-methylpyrazol-3-yl)phenoxy]-3-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID71716800
Molecular FormulaC19H14ClFN4O3S2
Molecular Weight464.93 g/mol
Exact Mass464.02
IUPAC Name4-[4-chloro-2-(1-methylpyrazol-3-yl)phenoxy]-3-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESCn1ccc(-c2cc(Cl)ccc2Oc2ccc(S(=O)(=O)Nc3nccs3)cc2F)n1
InChIInChI=1S/C19H14ClFN4O3S2/c1-25-8-6-16(23-25)14-10-12(20)2-4-17(14)28-18-5-3-13(11-15(18)21)30(26,27)24-19-22-7-9-29-19/h2-11H,1H3,(H,22,24)
InChIKeyIPWFCFCPNVLJBX-UHFFFAOYSA-N
XLogP4.93
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.93
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

CID 71718072
CID 71718072
CID 46841648
CID 46841648
CID 46840813
CID 46840813
CID 46841499
CID 46841499
CID 71717540
CID 71717540
CID 127050457
CID 127050457
CID 46840814
CID 46840814
CID 46841215
CID 46841215
CID 46841354
CID 46841354
CID 57494824
CID 57494824
CID 57494825
CID 57494825
CID 59436587
CID 59436587

Frequently Asked Questions

What is the IUPAC name of 4-[4-chloro-2-(1-methylpyrazol-3-yl)phenoxy]-3-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-[4-chloro-2-(1-methylpyrazol-3-yl)phenoxy]-3-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 71716800) is 4-[4-chloro-2-(1-methylpyrazol-3-yl)phenoxy]-3-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-[4-chloro-2-(1-methylpyrazol-3-yl)phenoxy]-3-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-[4-chloro-2-(1-methylpyrazol-3-yl)phenoxy]-3-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide is Cn1ccc(-c2cc(Cl)ccc2Oc2ccc(S(=O)(=O)Nc3nccs3)cc2F)n1.
What is the InChIKey of 4-[4-chloro-2-(1-methylpyrazol-3-yl)phenoxy]-3-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is IPWFCFCPNVLJBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClFN4O3S2/c1-25-8-6-16(23-25)14-10-12(20)2-4-17(14)28-18-5-3-13(11-15(18)21)30(26,27)24-19-22-7-9-29-19/h2-11H,1H3,(H,22,24).
What are the key properties of 4-[4-chloro-2-(1-methylpyrazol-3-yl)phenoxy]-3-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide?
4-[4-chloro-2-(1-methylpyrazol-3-yl)phenoxy]-3-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 464.93 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-chloro-2-(1-methylpyrazol-3-yl)phenoxy]-3-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 71716800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).