5-chloro-2-fluoro-4-[(6-fluoro-1H-indol-7-yl)methylamino]-N-(1,3-thiazol-4-yl)benzenesulfonamide

C18H13ClF2N4O2S2 — CID 134585288

IUPAC5-chloro-2-fluoro-4-[(6-fluoro-1H-indol-7-yl)methylamino]-N-(1,3-thiazol-4-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1cscn1)c1cc(Cl)c(NCc2c(F)ccc3cc[nH]c23)cc1F
InChIInChI=1S/C18H13ClF2N4O2S2/c19-12-5-16(29(26,27)25-17-8-28-9-24-17)14(21)6-15(12)23-7-11-13(20)2-1-10-3-4-22-18(10)11/h1-6,8-9,22-23,25H,7H2
InChIKeyHHFAUMDZNQFSKL-UHFFFAOYSA-N
MW454.91 g/mol
LogP4.97
Rot. Bonds6

About 5-chloro-2-fluoro-4-[(6-fluoro-1H-indol-7-yl)methylamino]-N-(1,3-thiazol-4-yl)benzenesulfonamide

5-chloro-2-fluoro-4-[(6-fluoro-1H-indol-7-yl)methylamino]-N-(1,3-thiazol-4-yl)benzenesulfonamide (PubChem CID 134585288) has the molecular formula C18H13ClF2N4O2S2 and a molecular weight of 454.91 g/mol. Its IUPAC name is 5-chloro-2-fluoro-4-[(6-fluoro-1H-indol-7-yl)methylamino]-N-(1,3-thiazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-fluoro-4-[(6-fluoro-1H-indol-7-yl)methylamino]-N-(1,3-thiazol-4-yl)benzenesulfonamide
PubChem CID134585288
Molecular FormulaC18H13ClF2N4O2S2
Molecular Weight454.91 g/mol
Exact Mass454.01
IUPAC Name5-chloro-2-fluoro-4-[(6-fluoro-1H-indol-7-yl)methylamino]-N-(1,3-thiazol-4-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1cscn1)c1cc(Cl)c(NCc2c(F)ccc3cc[nH]c23)cc1F
InChIInChI=1S/C18H13ClF2N4O2S2/c19-12-5-16(29(26,27)25-17-8-28-9-24-17)14(21)6-15(12)23-7-11-13(20)2-1-10-3-4-22-18(10)11/h1-6,8-9,22-23,25H,7H2
InChIKeyHHFAUMDZNQFSKL-UHFFFAOYSA-N
XLogP4.97
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.91
LogP ≤ 54.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-4-[(6-fluoro-1H-indol-7-yl)methylamino]-N-(1,3-thiazol-4-yl)benzenesulfonamide?
The IUPAC name of 5-chloro-2-fluoro-4-[(6-fluoro-1H-indol-7-yl)methylamino]-N-(1,3-thiazol-4-yl)benzenesulfonamide (CID 134585288) is 5-chloro-2-fluoro-4-[(6-fluoro-1H-indol-7-yl)methylamino]-N-(1,3-thiazol-4-yl)benzenesulfonamide.
What is the SMILES notation for 5-chloro-2-fluoro-4-[(6-fluoro-1H-indol-7-yl)methylamino]-N-(1,3-thiazol-4-yl)benzenesulfonamide?
The canonical SMILES for 5-chloro-2-fluoro-4-[(6-fluoro-1H-indol-7-yl)methylamino]-N-(1,3-thiazol-4-yl)benzenesulfonamide is O=S(=O)(Nc1cscn1)c1cc(Cl)c(NCc2c(F)ccc3cc[nH]c23)cc1F.
What is the InChIKey of 5-chloro-2-fluoro-4-[(6-fluoro-1H-indol-7-yl)methylamino]-N-(1,3-thiazol-4-yl)benzenesulfonamide?
The InChIKey is HHFAUMDZNQFSKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClF2N4O2S2/c19-12-5-16(29(26,27)25-17-8-28-9-24-17)14(21)6-15(12)23-7-11-13(20)2-1-10-3-4-22-18(10)11/h1-6,8-9,22-23,25H,7H2.
What are the key properties of 5-chloro-2-fluoro-4-[(6-fluoro-1H-indol-7-yl)methylamino]-N-(1,3-thiazol-4-yl)benzenesulfonamide?
5-chloro-2-fluoro-4-[(6-fluoro-1H-indol-7-yl)methylamino]-N-(1,3-thiazol-4-yl)benzenesulfonamide has a molecular weight of 454.91 g/mol, XLogP of 4.97, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-fluoro-4-[(6-fluoro-1H-indol-7-yl)methylamino]-N-(1,3-thiazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 134585288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).